Isopropyl Alcohol

Identification

Name
Isopropyl Alcohol
Accession Number
DB02325  (EXPT01912, DB04402)
Type
Small Molecule
Groups
Approved
Description

An isomer of 1-propanol. It is a colorless liquid having disinfectant properties. It is used in the manufacture of acetone and its derivatives and as a solvent. Topically, it is used as an antiseptic. [PubChem]

Structure
Thumb
Synonyms
  • Isopropanol
External IDs
FEMA NO. 2929 / NSC-135801
Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Alpet E-3Liquid70 %TopicalBest Sanitizers, IncNot applicableNot applicableCanada
Viraguard! With Virahol (gel)Gel65 %TopicalVeridien CorporationNot applicableNot applicableCanada
Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
50 percent Isopropyl alcoholLiquid50 mL/100mLTopicalWhole Foods Market2017-05-31Not applicableUs
50% Isopropyl Rubbing AlcoholLiquid50 mL/100mLTopicalAmerincan Health Packaging2017-07-15Not applicableUs
50% Isopropyl Rubbing Alcohol with WintergreenLiquid50 mL/100mLTopicalAmerincan Health Packaging2017-07-15Not applicableUs
50% RubbingLiquid500 mg/mLTopicalVi Jon1989-07-15Not applicableUs
50% RubbingLiquid500 mg/mLTopicalSound Body2014-10-08Not applicableUs
50% RubbingLiquid500 mg/mLTopicalTop Co Associates2017-04-03Not applicableUs
50% RubbingLiquid500 mg/mLTopicalGreenbrier International, Inc.2014-10-08Not applicableUs
50% RubbingLiquid500 mg/mLTopicalDolgencorp2014-10-08Not applicableUs
50% RubbingLiquid500 mg/mLTopicalFamily Dollar Services2016-06-14Not applicableUs
70%Liquid500 mg/mLTopicalCariba International2016-12-20Not applicableUs
Unapproved/Other Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Alcohol Prep PadSponge7 mL/10mLTopicalBio Med Resource Inc.2014-10-30Not applicableUs
DDM Ear Drops for SwimmersLiquid950 mg/mLAuricular (otic)Discount Drug Mart2008-01-01Not applicableUs
ENT Essentials All Dry Ear Drying DropsLiquid.95 g/100gAuricular (otic)Wisconsin Pharmacal Company2017-02-01Not applicableUs
Freeman Packing Hand Sanitizer 004Liquid13 g/100gTopicalJiangxi Sencen Hygienic Products Co., Ltd.2015-04-12Not applicableUs
Hand SanitizerSpray75 kg/100kgTopicalPro Active Solutions Usa, Llc2009-03-30Not applicableUs
HEB Water Drying AidLiquid950 mg/mLAuricular (otic)H.E.B.2008-01-01Not applicableUs
Isopropyl AlcoholLiquid613 mg/mLTopicalMeijer Distribution2009-05-14Not applicableUs
Isopropyl AlcoholLiquid91 mL/100mLTopicalDiscount Drug Mart2017-11-07Not applicableUs
Isopropyl Alcohol 70% 3x3Swab700 mg/gTopicalWinner Medical Co., Ltd.2017-11-16Not applicableUs
Isopropyl Alcohol 70% 4x4Swab700 mg/gTopicalWinner Medical Co., Ltd.2017-11-16Not applicableUs
Mixture Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing End
25 Person ANSIIsopropyl Alcohol + Acetaminophen + Acetylsalicylic acid + Bacitracin zinc + Benzalkonium chloride + Benzocaine + Ethanol + Ibuprofen + Lidocaine + Neomycin sulfate + Polymyxin B Sulfate + WaterKitGenuine First Aid2010-04-25Not applicableUs
3M DuraPrep SurgicalIsopropyl Alcohol (636.4 mg/mL) + Iodine povacrylex (6.02 mg/mL)SolutionTopical3 M Pharmaceuticals2006-09-29Not applicableUs
3m Soluprep SpongeIsopropyl Alcohol (70 %) + Chlorhexidine gluconate (2 %)SpongeTopical3 M Pharmaceuticals2013-09-11Not applicableCanada
50 Person ANSIIsopropyl Alcohol + Acetaminophen + Acetylsalicylic acid + Bacitracin zinc + Benzalkonium chloride + Benzocaine + Ethanol + Ibuprofen + Lidocaine + Neomycin sulfate + Polymyxin B Sulfate + WaterKitGenuine First Aid2010-06-02Not applicableUs
ACME FIRST AID Contains 404 PIECESIsopropyl Alcohol + Acetylsalicylic acid + Bacitracin zinc + Benzalkonium chloride + Benzocaine + Ethanol + Lidocaine + Neomycin sulfate + Polymyxin B Sulfate + WaterKitAcme United Corporation2010-04-27Not applicableUs
Acnomel Skin Tone CreamIsopropyl Alcohol (11 %) + Resorcinol (2 %) + Sulfur (8 %)CreamTopicalNumark Laboratories, Inc.1992-12-312004-07-30Canada
Adyphren Amp II KitIsopropyl Alcohol + EpinephrineKitIntramuscular; Subcutaneous; TopicalAsclemed Usa, Inc.2016-10-27Not applicableUs
Adyphren Amp KitIsopropyl Alcohol + EpinephrineKitIntramuscular; Subcutaneous; TopicalAsclemed Usa, Inc.2016-10-27Not applicableUs
Adyphren II KitIsopropyl Alcohol + EpinephrineKitIntramuscular; Intraocular; SubcutaneousAsclemed Usa, Inc.2016-10-04Not applicableUs
Adyphren KitIsopropyl Alcohol + EpinephrineKitIntramuscular; Intraocular; SubcutaneousAsclemed Usa, Inc.2016-10-04Not applicableUs
Categories
UNII
ND2M416302
CAS number
67-63-0
Weight
Average: 60.095
Monoisotopic: 60.057514878
Chemical Formula
C3H8O
InChI Key
KFZMGEQAYNKOFK-UHFFFAOYSA-N
InChI
InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
IUPAC Name
propan-2-ol
SMILES
CC(C)O

Pharmacology

Indication
Not Available
Structured Indications
Pharmacodynamics
Not Available
Mechanism of action
TargetActionsOrganism
UGTP cyclohydrolase 1Not AvailableHuman
USubtilisin BPN'Not AvailableBacillus amyloliquefaciens
URibonuclease pancreaticNot AvailableHuman
UTrypsin-2Not AvailableHuman
UAldehyde oxidoreductaseNot AvailableDesulfovibrio gigas
UGanglioside GM2 activatorNot AvailableHuman
UThermolysinNot AvailableGeobacillus stearothermophilus
UChitotriosidase-1Not AvailableHuman
UAdenosylhomocysteinaseNot AvailableHuman
USpliceosome RNA helicase DDX39BNot AvailableHuman
UDNA mismatch repair protein MutLNot AvailableEscherichia coli (strain K12)
UGag-Pro-Pol polyproteinNot AvailableRSV-SRA
ULysozymeNot AvailableEnterobacteria phage lambda
UGlucarate dehydrataseNot AvailableEscherichia coli (strain K12)
UmRNA-capping enzymeNot AvailableHuman
UFMN-dependent NADH-azoreductaseNot AvailableEscherichia coli (strain K12)
UTranscription termination/antitermination protein NusGNot AvailableAquifex aeolicus (strain VF5)
U1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenaseNot AvailableHuman
UGrowth/differentiation factor 5Not AvailableHuman
UIg kappa chain V-IV region LenNot AvailableHuman
UPectate lyaseNot AvailableAzospirillum irakense
UGag polyproteinNot AvailableSIV-mac
UPhospholipase A2, membrane associatedNot AvailableHuman
UScaffolding dockerin binding protein ANot AvailableClostridium thermocellum
UAlr1529 proteinNot AvailableNostoc sp. (strain PCC 7120 / UTEX 2576)
UL-xylulose reductaseNot AvailableHuman
UPeroxiredoxin-6Not AvailableHuman
UHydrolase, TatD familyNot AvailableThermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
UTumor necrosis factorNot AvailableHuman
UTartrate-resistant acid phosphatase type 5Not AvailableHuman
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
  • Humans and other mammals
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

Synthesis Reference

http://en.wikipedia.org/wiki/Alcohol#Laboratory_synthesis

General References
Not Available
External Links
Human Metabolome Database
HMDB00863
KEGG Drug
D00137
KEGG Compound
C01845
PubChem Compound
3776
PubChem Substance
46508136
ChemSpider
3644
ChEBI
17824
ChEMBL
CHEMBL582
PharmGKB
PA450117
HET
IPA
Wikipedia
Isopropyl_alcohol
ATC Codes
D08AX05 — Isopropanol
AHFS Codes
  • 84:04.92 — Miscellaneous Local Anti-infectives
PDB Entries
1ak9 / 1am7 / 1aqn / 1asw / 1au9 / 1bnd / 1bw9 / 1c1d / 1c1x / 1ci8
show 509 more
MSDS
Download (51.8 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0Not Yet RecruitingBasic ScienceCleaning Product Causing Toxic Effect1
1Active Not RecruitingBasic ScienceHealthy Volunteers1
1CompletedNot AvailableAlcohol-Related Disorders / Amphetamine-Related Disorders1
1CompletedNot AvailableChronic Hepatitis C Infection / Human Immunodeficiency Virus (HIV) Infections1
1Not Yet RecruitingBasic ScienceAlcohol Drinking1
1RecruitingBasic ScienceAlcohol Drinking / Men / Sex Behavior1
1, 2CompletedTreatmentHealthy Volunteers3
2CompletedNot AvailableSurgical Site Infections1
2CompletedOtherAlcohol Drinking / Alcoholism / FMRI1
2CompletedPreventionSkin Coverage1
2CompletedTreatmentTremors1
2TerminatedNot AvailableSurgical Site Infections1
2Unknown StatusPreventionType 2 Diabetes Mellitus1
2, 3Active Not RecruitingBasic ScienceSpasmodic Dysphonia / Vocal Fold Nodules / Voice Tremor1
2, 3RecruitingTreatmentNonvalvular Atrial Fibrillation / Ventricular Tachycardia (VT)1
3Active Not RecruitingDiagnosticAlcohol Impaired Driving / Driving / Impairment / Intoxication1
3CompletedPreventionGeneral Surgery / Irritation Potential1
3CompletedPreventionInfectious Diseases1
3RecruitingPreventionCentral Line-associated Bloodstream Infection (CLABSI) / Ethanol-lock / Infection, Catheter-Related / Pediatric1
3RecruitingPreventionSurgical Skin Preparation2
4CompletedNot AvailableAntimicrobial Effectiveness2
4CompletedNot AvailableHealthy Volunteers1
4CompletedPreventionNeonatal Infections1
4Not Yet RecruitingTreatmentAlcohol Consumption / Smoking, Cigarette1
4RecruitingPreventionHospitalization / Infection NOS1
4RecruitingPreventionStaphylococcus Aureus1
Not AvailableActive Not RecruitingTreatmentDiabetes, Diabetes Mellitus Type 11
Not AvailableCompletedNot AvailableDrug Dependence1
Not AvailableCompletedNot AvailableMyeloproliferative Disorders1
Not AvailableCompletedBasic ScienceAlcoholism1
Not AvailableCompletedBasic SciencePsychomotor Impairment1
Not AvailableCompletedPreventionBacteremia / Catheter related bloodstream infections1
Not AvailableCompletedPreventionNeonatal Mortality / Neonatal Sepsis1
Not AvailableCompletedTreatmentAnaesthesia therapy / Pain1
Not AvailableCompletedTreatmentStings1
Not AvailableCompletedTreatmentType 2 Diabetes Mellitus1
Not AvailableRecruitingBasic ScienceAlcohols / Nonvalvular Atrial Fibrillation1
Not AvailableRecruitingPreventionSurgical Site Infections1
Not AvailableRecruitingTreatmentAlcoholic Intoxication1
Not AvailableRecruitingTreatmentCancer, Breast1
Not AvailableRecruitingTreatmentNausea1
Not AvailableWithdrawnNot AvailableAutomobile Driving1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Dosage forms
FormRouteStrength
SpongeTopical
SprayTopical700 mg/mL
SolutionTopical.7 mg/mL
LiquidTopical500 mg/mL
CreamTopical
KitIntramuscular; Subcutaneous; Topical
KitIntramuscular; Intraocular; Subcutaneous
LiquidTopical62.0 %
GelTopical62 mL/100mL
LiquidTopical.99 mL/mL
PatchTopical700 mg/g
SwabTopical.7 g/g
SwabTopical7 mL/10mL
SwabTopical70 mL/100mL
SwabTopical700 mg/g
GelTopical700 mL/1000mL
SwabTopical.7 mL/1
ClothTopical.7 mL/.7mL
SwabTopical1.4 mL/1
SpongeTopical7 mL/10mL
SwabTopical.7 mg/mg
SwabTopical.7 mL/mL
SwabTopical700 mg/1
ClothTopical70 mg/1
SwabTopical70 1/1
LiquidTopical70 %
SwabTopical.7 g/mL
GelTopical70 %
LotionTopical70 %
LiquidTopical21 ml
LiquidTopical760 g/1000mL
JellyTopical50 %
LiquidTopical.56118 g/mL
LiquidTopical715 mL/L
SolutionTopical
GelTopical70 mL/100mL
Solution / dropsAuricular (otic)
PatchTopical.7 mL/mL
SwabTopical70 g/100g
LiquidAuricular (otic)28 mL/29mL
LiquidTopical30 mg/30mL
LiquidTopical60 %
LiquidTopical63 %
LiquidTopical63 mL/100mL
LiquidTopical.7 mL/mL
LiquidTopical70 mg/100mg
LiquidAuricular (otic)950 mg/mL
ClothTopical.7 g/g
KitTopical
ClothTopical70 %
LiquidAuricular (otic)94.998 1/100mL
LiquidAuricular (otic)
LiquidAuricular (otic)95 g/100mL
SolutionTopical75 mL/100mL
LiquidAuricular (otic).95 g/100g
LiquidTopical.7 L/100L
LiquidTopical13 g/100g
SolutionTopical.14 g/.2mL
SolutionTopical1.4 g/2mL
PatchTopical70 g/100g
PatchTopical
Kit
SolutionTopical700 g/1000g
Kit
LiquidTopical70 g/100g
SprayTopical75 kg/100kg
SolutionTopical.57 1/1
LiquidTopical; Vaginal
Solution / dropsTopical.95 g/100mL
SprayTopical70 mL/100mL
LiquidTopical924 mg/mL
LiquidTopical.7 mg/mL
LiquidTopical.91 L/100L
LiquidTopical.91 mg/mL
LiquidTopical50 mL/100mL
LiquidTopical613 mg/mL
LiquidTopical70 mL/100mL
LiquidTopical70.14 g/100mL
LiquidTopical700 mL/L
LiquidTopical91 kg/100L
LiquidTopical91 mg/mL
LiquidTopical910 mg/mL
SolutionTopical.105 mL/.15mL
SolutionTopical462 mg/mL
SolutionTopical91 mL/100mL
SprayTopical550.2 g/L
SprayTopical700 mL/L
SwabTopical.238 mL/1
SwabTopical.75 g/1
SwabTopical70 mL/1
LiquidTopical91 mL/100mL
SwabTopical.7 1/1
LiquidTopical99 %
SolutionTopical.7 mL/mL
SpongeTopical.07 mL/mL
LiquidCutaneous350 mL/500mL
SolutionTopical.7 L/L
SolutionTopical70 mL/100mL
SolutionTopical700 mg/mL
LiquidTopical30 mg/mL
SolutionTopical90 mL/100mL
SprayTopical15 g/100g
LiquidTopical
ClothTopical.7 mL/1
ClothTopical.7 g/1
LiquidTopical630 mg/g
LiquidTopical97.79 %
Aerosol, sprayTopical
SolutionAuricular (otic).95 g/mL
StickTopical70 %
SwabTopical
LiquidTopical1 mL/1
SwabTopical700 mg/mL
GelTopical49 %
LiquidTopical700 mg/mL
GelTopical
LiquidTopical.45 mg/g
SoapTopical
GelTopical700 g/kg
ClothTopical.7 mL/mL
Solution; spongeTopical
ClothTopical
LiquidTopical.8 g/mL
LiquidTopical70 L/100L
LiquidTopical95 ml
StickTopical70 1/1001
SolutionAuricular (otic)950 mg/mL
LiquidTopical99 mL/100mL
SolutionTopical.13 g/mL
ClothTopical70 g/100g
LiquidTopical90 mL/100mL
GelTopical65 %
Prices
Not Available
Patents
Patent NumberPediatric ExtensionApprovedExpires (estimated)
US7422388No2007-04-252027-04-25Us
US6536975No2000-11-102020-11-10Us
US6729786No2003-03-142023-03-14Us
US7241065No2003-03-142023-03-14Us
US5690958No1996-09-302016-09-30Us
US6991394No2004-01-312024-01-31Us
US7182536No2003-12-302023-12-30Us
US5538353No1995-08-252015-08-25Us
US5772346No1997-04-222017-04-22Us
USD468424No1997-01-072017-01-07Us

Properties

State
Solid
Experimental Properties
PropertyValueSource
melting point (°C)-89.5 °CPhysProp
boiling point (°C)82.3 °CPhysProp
water solubility1E+006 mg/L (at 25 °C)RIDDICK,JA ET AL. (1986)
logP0.05HANSCH,C ET AL. (1995)
pKa17.1SERJEANT,EP & DEMPSEY,B (1979)
Predicted Properties
PropertyValueSource
Water Solubility378.0 mg/mLALOGPS
logP0.04ALOGPS
logP0.25ChemAxon
logS0.8ALOGPS
pKa (Strongest Acidic)17.26ChemAxon
pKa (Strongest Basic)-1.8ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity17.43 m3·mol-1ChemAxon
Polarizability7.14 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption+0.9905
Blood Brain Barrier+0.9694
Caco-2 permeable+0.7135
P-glycoprotein substrateNon-substrate0.8146
P-glycoprotein inhibitor INon-inhibitor0.9609
P-glycoprotein inhibitor IINon-inhibitor0.9785
Renal organic cation transporterNon-inhibitor0.932
CYP450 2C9 substrateNon-substrate0.8061
CYP450 2D6 substrateNon-substrate0.8916
CYP450 3A4 substrateNon-substrate0.7103
CYP450 1A2 substrateNon-inhibitor0.8634
CYP450 2C9 inhibitorNon-inhibitor0.9466
CYP450 2D6 inhibitorNon-inhibitor0.9581
CYP450 2C19 inhibitorNon-inhibitor0.9267
CYP450 3A4 inhibitorNon-inhibitor0.9764
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.949
Ames testNon AMES toxic0.9246
CarcinogenicityCarcinogens 0.7397
BiodegradationReady biodegradable0.7608
Rat acute toxicity1.3372 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9583
hERG inhibition (predictor II)Non-inhibitor0.9457
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Download (3.84 KB)
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-b56f808ef55c854e8324
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-f68d78a99d0ee77081c8
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-a1c27780d39325f67c84
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-40a45591af6378500aeb
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-2261ea7d03d835d46644
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-3c81c56ab53eb5aaa2ec
GC-MS Spectrum - EI-BGC-MSsplash10-0002-9000000000-7936ed4d93d5699b0366
Mass Spectrum (Electron Ionization)MSsplash10-0002-9000000000-8f0393a68e54e5668638
MS/MS Spectrum - Quattro_QQQ 10V, Positive (Annotated)LC-MS/MSsplash10-03di-9000000000-958007b112253f530fa1
MS/MS Spectrum - Quattro_QQQ 25V, Positive (Annotated)LC-MS/MSsplash10-03dl-9000000000-eec0fd84c38e3cc2fb7d
MS/MS Spectrum - Quattro_QQQ 40V, Positive (Annotated)LC-MS/MSsplash10-03di-9000000000-e524005ac3e29f5e6e60
MS/MS Spectrum - EI-B (HITACHI RMU-6M) , PositiveLC-MS/MSsplash10-0002-9000000000-b56f808ef55c854e8324
MS/MS Spectrum - EI-B (JEOL JMS-D-3000) , PositiveLC-MS/MSsplash10-0002-9000000000-2261ea7d03d835d46644
MS/MS Spectrum - EI-B (HITACHI M-80B) , PositiveLC-MS/MSsplash10-0002-9000000000-3c81c56ab53eb5aaa2ec
MS/MS Spectrum - EI-B (HITACHI RMU-7M) , PositiveLC-MS/MSsplash10-0002-9000000000-7936ed4d93d5699b0366
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-52e1a906e58615d920fd
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-9000000000-e66cba449fc3e39cabcb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-34d2b3ce7e4949d6207e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-06d1878fb0f08269b040
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-a3c0cec1f0523a5089d6
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-b7cef7808f5c6bfd85c9
1H NMR Spectrum1D NMRNot Applicable
1H NMR Spectrum1D NMRNot Applicable
13C NMR Spectrum1D NMRNot Applicable
[1H,13C] 2D NMR Spectrum2D NMRNot Applicable

Taxonomy

Description
This compound belongs to the class of organic compounds known as secondary alcohols. These are compounds containing a secondary alcohol functional group, with the general structure HOC(R)(R') (R,R'=alkyl, aryl).
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Alcohols and polyols
Direct Parent
Secondary alcohols
Alternative Parents
Hydrocarbon derivatives
Substituents
Secondary alcohol / Hydrocarbon derivative / Aliphatic acyclic compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
secondary alcohol (CHEBI:17824) / a small molecule (ISO-PROPANOL)

Targets

Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Zinc ion binding
Specific Function
Positively regulates nitric oxide synthesis in umbilical vein endothelial cells (HUVECs). May be involved in dopamine synthesis. May modify pain sensitivity and persistence. Isoform GCH-1 is the fu...
Gene Name
GCH1
Uniprot ID
P30793
Uniprot Name
GTP cyclohydrolase 1
Molecular Weight
27902.855 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Bacillus amyloliquefaciens
Pharmacological action
Unknown
General Function
Serine-type endopeptidase activity
Specific Function
Subtilisin is an extracellular alkaline serine protease, it catalyzes the hydrolysis of proteins and peptide amides. Has a high substrate specificity to fibrin.
Gene Name
apr
Uniprot ID
P00782
Uniprot Name
Subtilisin BPN'
Molecular Weight
39180.935 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Ribonuclease a activity
Specific Function
Endonuclease that catalyzes the cleavage of RNA on the 3' side of pyrimidine nucleotides. Acts on single-stranded and double-stranded RNA.
Gene Name
RNASE1
Uniprot ID
P07998
Uniprot Name
Ribonuclease pancreatic
Molecular Weight
17644.125 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Serine-type endopeptidase activity
Specific Function
In the ileum, may be involved in defensin processing, including DEFA5.
Gene Name
PRSS2
Uniprot ID
P07478
Uniprot Name
Trypsin-2
Molecular Weight
26487.55 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Desulfovibrio gigas
Pharmacological action
Unknown
General Function
Metal ion binding
Specific Function
Not Available
Gene Name
mop
Uniprot ID
Q46509
Uniprot Name
Aldehyde oxidoreductase
Molecular Weight
97033.97 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Phospholipase activator activity
Specific Function
The large binding pocket can accommodate several single chain phospholipids and fatty acids, GM2A also exhibits some calcium-independent phospholipase activity (By similarity). Binds gangliosides a...
Gene Name
GM2A
Uniprot ID
P17900
Uniprot Name
Ganglioside GM2 activator
Molecular Weight
20838.1 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Geobacillus stearothermophilus
Pharmacological action
Unknown
General Function
Metalloendopeptidase activity
Specific Function
Extracellular zinc metalloprotease.
Gene Name
nprS
Uniprot ID
P43133
Uniprot Name
Thermolysin
Molecular Weight
60616.22 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Endochitinase activity
Specific Function
Degrades chitin, chitotriose and chitobiose. May participate in the defense against nematodes and other pathogens. Isoform 3 has no enzymatic activity.
Gene Name
CHIT1
Uniprot ID
Q13231
Uniprot Name
Chitotriosidase-1
Molecular Weight
51680.985 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Nad binding
Specific Function
Adenosylhomocysteine is a competitive inhibitor of S-adenosyl-L-methionine-dependent methyl transferase reactions; therefore adenosylhomocysteinase may play a key role in the control of methylation...
Gene Name
AHCY
Uniprot ID
P23526
Uniprot Name
Adenosylhomocysteinase
Molecular Weight
47715.715 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
U6 snrna binding
Specific Function
Involved in nuclear export of spliced and unspliced mRNA. Assembling component of the TREX complex which is thought to couple mRNA transcription, processing and nuclear export, and specifically ass...
Gene Name
DDX39B
Uniprot ID
Q13838
Uniprot Name
Spliceosome RNA helicase DDX39B
Molecular Weight
48990.945 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
  3. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Mismatched dna binding
Specific Function
This protein is involved in the repair of mismatches in DNA. It is required for dam-dependent methyl-directed DNA mismatch repair. May act as a "molecular matchmaker", a protein that promotes the f...
Gene Name
mutL
Uniprot ID
P23367
Uniprot Name
DNA mismatch repair protein MutL
Molecular Weight
67923.04 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
RSV-SRA
Pharmacological action
Unknown
General Function
Zinc ion binding
Specific Function
Capsid protein p27 forms the spherical core of the virus that encapsulates the genomic RNA-nucleocapsid complex.The aspartyl protease mediates proteolytic cleavages of Gag and Gag-Pol polyproteins ...
Gene Name
gag-pro-pol
Uniprot ID
Q04095
Uniprot Name
Gag-Pro-Pol polyprotein
Molecular Weight
173931.55 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Enterobacteria phage lambda
Pharmacological action
Unknown
General Function
Lysozyme activity
Specific Function
Endolysin with transglycosylase activity that degrades host peptidoglycans and participates with the holin and spanin proteins in the sequential events which lead to the programmed host cell lysis ...
Gene Name
R
Uniprot ID
P03706
Uniprot Name
Endolysin
Molecular Weight
17825.045 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Magnesium ion binding
Specific Function
Catalyzes the dehydration of glucarate to 5-keto-4-deoxy-D-glucarate (5-kdGluc). Also acts on L-idarate.
Gene Name
gudD
Uniprot ID
P0AES2
Uniprot Name
Glucarate dehydratase
Molecular Weight
49140.715 Da
References
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
  2. Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Triphosphatase activity
Specific Function
Bifunctional mRNA-capping enzyme exhibiting RNA 5'-triphosphatase activity in the N-terminal part and mRNA guanylyltransferase activity in the C-terminal part. Catalyzes the first two steps of cap ...
Gene Name
RNGTT
Uniprot ID
O60942
Uniprot Name
mRNA-capping enzyme
Molecular Weight
68556.21 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Escherichia coli (strain K12)
Pharmacological action
Unknown
General Function
Oxidoreductase activity, acting on nad(p)h, quinone or similar compound as acceptor
Specific Function
Catalyzes the reductive cleavage of azo bond in aromatic azo compounds to the corresponding amines. Requires NADH, but not NADPH, as an electron donor for its activity. The enzyme can reduce ethyl ...
Gene Name
azoR
Uniprot ID
P41407
Uniprot Name
FMN-dependent NADH-azoreductase
Molecular Weight
21657.47 Da
Kind
Protein
Organism
Aquifex aeolicus (strain VF5)
Pharmacological action
Unknown
General Function
Not Available
Specific Function
Participates in transcription elongation, termination and antitermination.
Gene Name
nusG
Uniprot ID
O67757
Uniprot Name
Transcription termination/antitermination protein NusG
Molecular Weight
27998.575 Da
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Oxidoreductase activity
Specific Function
Catalyzes the formation of formate and 2-keto-4-methylthiobutyrate (KMTB) from 1,2-dihydroxy-3-keto-5-methylthiopentene (DHK-MTPene). Also down-regulates cell migration mediated by MMP14. Necessary...
Gene Name
ADI1
Uniprot ID
Q9BV57
Uniprot Name
1,2-dihydroxy-3-keto-5-methylthiopentene dioxygenase
Molecular Weight
21498.23 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Transforming growth factor beta receptor binding
Specific Function
Growth factor involved in bone and cartilage formation. During cartilage development regulates differentiation of chondrogenic tissue through two pathways. Firstly, positively regulates differentia...
Gene Name
GDF5
Uniprot ID
P43026
Uniprot Name
Growth/differentiation factor 5
Molecular Weight
55410.15 Da
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Antigen binding
Specific Function
Not Available
Gene Name
Not Available
Uniprot ID
P06312
Uniprot Name
Ig kappa chain V-IV region Len
Molecular Weight
12639.965 Da
Kind
Protein
Organism
Azospirillum irakense
Pharmacological action
Unknown
General Function
Lyase activity
Specific Function
Not Available
Gene Name
pelA
Uniprot ID
Q9X592
Uniprot Name
Pectate lyase
Molecular Weight
47006.465 Da
Kind
Protein
Organism
SIV-mac
Pharmacological action
Unknown
General Function
Zinc ion binding
Specific Function
Matrix protein p17 targets Gag and Gag-Pol polyproteins to the plasma membrane via a multipartite membrane binding signal, that includes its myristoylated N-terminus. Also mediates nuclear localiza...
Gene Name
gag
Uniprot ID
P05893
Uniprot Name
Gag polyprotein
Molecular Weight
56725.035 Da
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Phospholipid binding
Specific Function
Thought to participate in the regulation of the phospholipid metabolism in biomembranes including eicosanoid biosynthesis. Catalyzes the calcium-dependent hydrolysis of the 2-acyl groups in 3-sn-ph...
Gene Name
PLA2G2A
Uniprot ID
P14555
Uniprot Name
Phospholipase A2, membrane associated
Molecular Weight
16082.525 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Clostridium thermocellum
Pharmacological action
Unknown
General Function
Carbohydrate binding
Specific Function
Not Available
Gene Name
sdbA
Uniprot ID
P71143
Uniprot Name
Scaffolding dockerin binding protein A
Molecular Weight
68618.73 Da
Kind
Protein
Organism
Nostoc sp. (strain PCC 7120 / UTEX 2576)
Pharmacological action
Unknown
General Function
Not Available
Specific Function
Not Available
Gene Name
Not Available
Uniprot ID
Q8YWS4
Uniprot Name
Alr1529 protein
Molecular Weight
23595.705 Da
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Oxidoreductase activity, acting on nad(p)h, quinone or similar compound as acceptor
Specific Function
Catalyzes the NADPH-dependent reduction of several pentoses, tetroses, trioses, alpha-dicarbonyl compounds and L-xylulose. Participates in the uronate cycle of glucose metabolism. May play a role i...
Gene Name
DCXR
Uniprot ID
Q7Z4W1
Uniprot Name
L-xylulose reductase
Molecular Weight
25912.875 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Ubiquitin protein ligase binding
Specific Function
Involved in redox regulation of the cell. Can reduce H(2)O(2) and short chain organic, fatty acid, and phospholipid hydroperoxides. May play a role in the regulation of phospholipid turnover as wel...
Gene Name
PRDX6
Uniprot ID
P30041
Uniprot Name
Peroxiredoxin-6
Molecular Weight
25034.715 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Thermotoga maritima (strain ATCC 43589 / MSB8 / DSM 3109 / JCM 10099)
Pharmacological action
Unknown
General Function
Endodeoxyribonuclease activity, producing 5'-phosphomonoesters
Specific Function
Not Available
Gene Name
Not Available
Uniprot ID
Q9WZD5
Uniprot Name
Putative deoxyribonuclease YcfH
Molecular Weight
29180.945 Da
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Tumor necrosis factor receptor binding
Specific Function
Cytokine that binds to TNFRSF1A/TNFR1 and TNFRSF1B/TNFBR. It is mainly secreted by macrophages and can induce cell death of certain tumor cell lines. It is potent pyrogen causing fever by direct ac...
Gene Name
TNF
Uniprot ID
P01375
Uniprot Name
Tumor necrosis factor
Molecular Weight
25644.15 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]
Kind
Protein
Organism
Human
Pharmacological action
Unknown
General Function
Ferrous iron binding
Specific Function
Involved in osteopontin/bone sialoprotein dephosphorylation. Its expression seems to increase in certain pathological states such as Gaucher and Hodgkin diseases, the hairy cell, the B-cell, and th...
Gene Name
ACP5
Uniprot ID
P13686
Uniprot Name
Tartrate-resistant acid phosphatase type 5
Molecular Weight
36598.47 Da
References
  1. Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [PubMed:10592235]

Drug created on June 13, 2005 07:24 / Updated on December 10, 2017 17:18