Identification

Name
Propantheline
Accession Number
DB00782  (APRD00177)
Type
Small Molecule
Groups
Approved
Description

A muscarinic antagonist used as an antispasmodic, in rhinitis, in urinary incontinence, and in the treatment of ulcers. At high doses it has nicotinic effects resulting in neuromuscular blocking. [PubChem]

Structure
Thumb
Synonyms
  • Propantelina bromuro
  • Propantelina, bromuro de
  • Propanthelin bromid
  • Propantheline
  • Propanthéline, bromure de
  • Propanthelini Bromidum
External IDs
SC 3171 / UNII-UX9Z118X9F
Product Ingredients
IngredientUNIICASInChI Key
Propantheline BromideUX9Z118X9F50-34-0XLBIBBZXLMYSFF-UHFFFAOYSA-M
Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Pro-banthine Tablets 15mgTablet15 mgOralWell Spring Pharmaceutical Corporation1994-12-312009-02-23Canada
Pro-banthine Tablets 7.5 mgTablet7.5 mgOralWell Spring Pharmaceutical Corporation1994-12-312009-02-23Canada
Propanthel Tab 15mgTablet15 mgOralIcn Pharmaceuticals1974-12-312005-04-26Canada
Generic Prescription Products
NameDosageStrengthRouteLabellerMarketing StartMarketing End
Propantheline BromideTablet, film coated15 mg/1OralWest Ward Pharmaceutical1981-12-14Not applicableUs
International/Other Brands
Ercoril (Medic) / Methaphyllin (Sannova) / Pro Banthine (Pfizer) / Prokind (Beacon) / Propanline (Chin Teng) / Propantheline (Shou Chan) / Spastheline (Sun)
Categories
UNII
1306V2B0Q8
CAS number
298-50-0
Weight
Average: 368.4892
Monoisotopic: 368.222568831
Chemical Formula
C23H30NO3
InChI Key
VVWYOYDLCMFIEM-UHFFFAOYSA-N
InChI
InChI=1S/C23H30NO3/c1-16(2)24(5,17(3)4)14-15-26-23(25)22-18-10-6-8-12-20(18)27-21-13-9-7-11-19(21)22/h6-13,16-17,22H,14-15H2,1-5H3/q+1
IUPAC Name
methylbis(propan-2-yl)[2-(9H-xanthene-9-carbonyloxy)ethyl]azanium
SMILES
CC(C)[N+](C)(CCOC(=O)C1C2=CC=CC=C2OC2=CC=CC=C12)C(C)C

Pharmacology

Indication

For the treatment of enuresis. It has also been used for hyperhidrosis, and cramps or spasms of the stomach, intestines or bladder.

Structured Indications
Pharmacodynamics

Propantheline is an anticholinergic drug, a medication that reduces the effect of acetylcholine, a chemical released from nerves that stimulates muscles, by blocking the receptors for acetylcholine on smooth muscle (a type of muscle). It also has a direct relaxing effect on smooth muscle. Propantheline is used to treat or prevent spasm in the muscles of the gastrointestinal tract in the irritable bowel syndrome. In addition, Propantheline inhibits gastrointestinal propulsive motility and decreases gastric acid secretion and controls excessive pharyngeal, tracheal and bronchial secretions.

Mechanism of action

Action is achieved via a dual mechanism: (1) a specific anticholinergic effect (antimuscarinic) at the acetylcholine-receptor sites and (2) a direct effect upon smooth muscle (musculotropic).

TargetActionsOrganism
AMuscarinic acetylcholine receptor M1
antagonist
Human
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination

Approximately 70% of the dose is excreted in the urine, mostly as metabolites.

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
DrugInteractionDrug group
1,10-PhenanthrolineThe therapeutic efficacy of Propantheline can be decreased when used in combination with 1,10-Phenanthroline.Experimental
AclidiniumPropantheline may increase the anticholinergic activities of Aclidinium.Approved
AlcuroniumThe risk or severity of adverse effects can be increased when Propantheline is combined with Alcuronium.Experimental
AlfentanilThe risk or severity of adverse effects can be increased when Propantheline is combined with Alfentanil.Approved, Illicit
AlphacetylmethadolThe risk or severity of adverse effects can be increased when Propantheline is combined with Alphacetylmethadol.Experimental, Illicit
AlphaprodineThe risk or severity of adverse effects can be increased when Propantheline is combined with Alphaprodine.Illicit
AmbenoniumThe therapeutic efficacy of Propantheline can be decreased when used in combination with Ambenonium.Approved
Anisotropine MethylbromideThe risk or severity of adverse effects can be increased when Propantheline is combined with Anisotropine Methylbromide.Approved
AtracuriumThe risk or severity of adverse effects can be increased when Propantheline is combined with Atracurium.Experimental, Investigational
Atracurium besylateThe risk or severity of adverse effects can be increased when Propantheline is combined with Atracurium besylate.Approved
AtropineThe risk or severity of adverse effects can be increased when Atropine is combined with Propantheline.Approved, Vet Approved
BenactyzineThe risk or severity of adverse effects can be increased when Propantheline is combined with Benactyzine.Withdrawn
BendroflumethiazideThe serum concentration of Bendroflumethiazide can be increased when it is combined with Propantheline.Approved
BenzatropineThe risk or severity of adverse effects can be increased when Benzatropine is combined with Propantheline.Approved
BezitramideThe risk or severity of adverse effects can be increased when Propantheline is combined with Bezitramide.Experimental, Illicit, Withdrawn
BiperidenThe risk or severity of adverse effects can be increased when Biperiden is combined with Propantheline.Approved, Investigational
BornaprineThe risk or severity of adverse effects can be increased when Bornaprine is combined with Propantheline.Experimental
Botulinum Toxin Type APropantheline may increase the anticholinergic activities of Botulinum Toxin Type A.Approved, Investigational
Botulinum Toxin Type BPropantheline may increase the anticholinergic activities of Botulinum Toxin Type B.Approved
BuprenorphineThe risk or severity of adverse effects can be increased when Propantheline is combined with Buprenorphine.Approved, Illicit, Investigational, Vet Approved
ButorphanolThe risk or severity of adverse effects can be increased when Propantheline is combined with Butorphanol.Approved, Illicit, Vet Approved
ButylscopolamineThe risk or severity of adverse effects can be increased when Propantheline is combined with Scopolamine butylbromide.Approved, Vet Approved
CarfentanilThe risk or severity of adverse effects can be increased when Propantheline is combined with Carfentanil.Illicit, Investigational, Vet Approved
ChlorothiazideThe serum concentration of Chlorothiazide can be increased when it is combined with Propantheline.Approved, Vet Approved
ChlorphenoxamineThe risk or severity of adverse effects can be increased when Propantheline is combined with Chlorphenoxamine.Withdrawn
ChlorthalidoneThe serum concentration of Chlorthalidone can be increased when it is combined with Propantheline.Approved
CimetropiumPropantheline may increase the anticholinergic activities of Cimetropium.Experimental, Investigational
CodeineThe risk or severity of adverse effects can be increased when Propantheline is combined with Codeine.Approved, Illicit
CoumaphosThe therapeutic efficacy of Propantheline can be decreased when used in combination with Coumaphos.Vet Approved
CyclopenthiazideThe serum concentration of Cyclopenthiazide can be increased when it is combined with Propantheline.Experimental
CyclopentolateThe risk or severity of adverse effects can be increased when Cyclopentolate is combined with Propantheline.Approved
DarifenacinThe risk or severity of adverse effects can be increased when Propantheline is combined with Darifenacin.Approved, Investigational
DecamethoniumThe therapeutic efficacy of Propantheline can be decreased when used in combination with Decamethonium.Approved
DemecariumThe therapeutic efficacy of Propantheline can be decreased when used in combination with Demecarium.Approved
DesloratadineThe risk or severity of adverse effects can be increased when Propantheline is combined with Desloratadine.Approved, Investigational
DexetimideThe risk or severity of adverse effects can be increased when Dexetimide is combined with Propantheline.Withdrawn
DextromoramideThe risk or severity of adverse effects can be increased when Propantheline is combined with Dextromoramide.Experimental, Illicit
DextropropoxypheneThe risk or severity of adverse effects can be increased when Propantheline is combined with Dextropropoxyphene.Approved, Illicit, Investigational, Withdrawn
DezocineThe risk or severity of adverse effects can be increased when Propantheline is combined with Dezocine.Approved, Investigational
DichlorvosThe therapeutic efficacy of Propantheline can be decreased when used in combination with Dichlorvos.Vet Approved
DicyclomineThe risk or severity of adverse effects can be increased when Propantheline is combined with Dicyclomine.Approved
DihydrocodeineThe risk or severity of adverse effects can be increased when Propantheline is combined with Dihydrocodeine.Approved, Illicit
DihydroetorphineThe risk or severity of adverse effects can be increased when Propantheline is combined with Dihydroetorphine.Experimental, Illicit
DihydromorphineThe risk or severity of adverse effects can be increased when Propantheline is combined with Dihydromorphine.Experimental, Illicit
DiphenoxylateThe risk or severity of adverse effects can be increased when Propantheline is combined with Diphenoxylate.Approved, Illicit
DistigmineThe therapeutic efficacy of Propantheline can be decreased when used in combination with Distigmine.Experimental
DonepezilThe therapeutic efficacy of Propantheline can be decreased when used in combination with Donepezil.Approved
DPDPEThe risk or severity of adverse effects can be increased when Propantheline is combined with DPDPE.Experimental
DronabinolPropantheline may increase the tachycardic activities of Dronabinol.Approved, Illicit
EchothiophateThe therapeutic efficacy of Propantheline can be decreased when used in combination with Echothiophate.Approved
EdrophoniumThe therapeutic efficacy of Propantheline can be decreased when used in combination with Edrophonium.Approved
EluxadolinePropantheline may increase the constipating activities of Eluxadoline.Approved
EmeproniumThe risk or severity of adverse effects can be increased when Propantheline is combined with Emepronium.Experimental
EtanautineThe risk or severity of adverse effects can be increased when Propantheline is combined with Etanautine.Experimental
EthopropazineThe risk or severity of adverse effects can be increased when Ethopropazine is combined with Propantheline.Approved
EthylmorphineThe risk or severity of adverse effects can be increased when Propantheline is combined with Ethylmorphine.Approved, Illicit
EtorphineThe risk or severity of adverse effects can be increased when Propantheline is combined with Etorphine.Illicit, Vet Approved
EtybenzatropineThe risk or severity of adverse effects can be increased when Propantheline is combined with Etybenzatropine.Experimental
FentanylThe risk or severity of adverse effects can be increased when Propantheline is combined with Fentanyl.Approved, Illicit, Investigational, Vet Approved
FenthionThe therapeutic efficacy of Propantheline can be decreased when used in combination with Fenthion.Vet Approved
FesoterodineThe risk or severity of adverse effects can be increased when Propantheline is combined with Fesoterodine.Approved
GalantamineThe therapeutic efficacy of Propantheline can be decreased when used in combination with Galantamine.Approved
GallamineThe risk or severity of adverse effects can be increased when Propantheline is combined with Gallamine.Experimental
Gallamine TriethiodideThe risk or severity of adverse effects can be increased when Propantheline is combined with Gallamine Triethiodide.Approved
Glucagon recombinantThe risk or severity of adverse effects can be increased when Propantheline is combined with Glucagon recombinant.Approved
GlycopyrroniumPropantheline may increase the anticholinergic activities of Glycopyrronium.Approved, Investigational, Vet Approved
HeroinThe risk or severity of adverse effects can be increased when Propantheline is combined with Heroin.Approved, Illicit, Investigational
HexamethoniumThe risk or severity of adverse effects can be increased when Propantheline is combined with Hexamethonium.Experimental
HomatropineThe risk or severity of adverse effects can be increased when Propantheline is combined with Homatropine.Approved
Huperzine AThe therapeutic efficacy of Propantheline can be decreased when used in combination with Huperzine A.Investigational
HydrochlorothiazideThe serum concentration of Hydrochlorothiazide can be increased when it is combined with Propantheline.Approved, Vet Approved
HydrocodoneThe risk or severity of adverse effects can be increased when Propantheline is combined with Hydrocodone.Approved, Illicit
HydroflumethiazideThe serum concentration of Hydroflumethiazide can be increased when it is combined with Propantheline.Approved, Investigational
HydromorphoneThe risk or severity of adverse effects can be increased when Propantheline is combined with Hydromorphone.Approved, Illicit
HyoscyamineThe risk or severity of adverse effects can be increased when Propantheline is combined with Hyoscyamine.Approved
IndapamideThe serum concentration of Indapamide can be increased when it is combined with Propantheline.Approved
IpidacrineThe therapeutic efficacy of Propantheline can be decreased when used in combination with Ipidacrine.Experimental
Ipratropium bromideThe risk or severity of adverse effects can be increased when Ipratropium bromide is combined with Propantheline.Approved
IsoflurophateThe therapeutic efficacy of Propantheline can be decreased when used in combination with Isoflurophate.Approved, Investigational, Withdrawn
ItoprideThe therapeutic efficacy of Itopride can be decreased when used in combination with Propantheline.Investigational
KetobemidoneThe risk or severity of adverse effects can be increased when Propantheline is combined with Ketobemidone.Approved, Investigational
Levomethadyl AcetateThe risk or severity of adverse effects can be increased when Propantheline is combined with Levomethadyl Acetate.Approved, Investigational
LevorphanolThe risk or severity of adverse effects can be increased when Propantheline is combined with Levorphanol.Approved
LofentanilThe risk or severity of adverse effects can be increased when Propantheline is combined with Lofentanil.Illicit
MalathionThe therapeutic efficacy of Propantheline can be decreased when used in combination with Malathion.Approved, Investigational
MazaticolThe risk or severity of adverse effects can be increased when Propantheline is combined with Mazaticol.Experimental
MecamylamineThe risk or severity of adverse effects can be increased when Propantheline is combined with Mecamylamine.Approved
MefloquineThe therapeutic efficacy of Propantheline can be decreased when used in combination with Mefloquine.Approved
MemantineThe therapeutic efficacy of Propantheline can be decreased when used in combination with Memantine.Approved, Investigational
MeptazinolThe risk or severity of adverse effects can be increased when Propantheline is combined with Meptazinol.Experimental
MethadoneThe risk or severity of adverse effects can be increased when Propantheline is combined with Methadone.Approved
Methadyl AcetateThe risk or severity of adverse effects can be increased when Propantheline is combined with Methadyl Acetate.Approved, Illicit
Methanesulfonyl FluorideThe therapeutic efficacy of Propantheline can be decreased when used in combination with Methanesulfonyl Fluoride.Investigational
MethanthelineThe risk or severity of adverse effects can be increased when Propantheline is combined with Methantheline.Approved, Investigational
MethyclothiazideThe serum concentration of Methyclothiazide can be increased when it is combined with Propantheline.Approved
Methylscopolamine bromideThe risk or severity of adverse effects can be increased when Propantheline is combined with Methylscopolamine bromide.Approved
MetixeneThe risk or severity of adverse effects can be increased when Propantheline is combined with Metixene.Approved
MetoclopramideThe therapeutic efficacy of Propantheline can be decreased when used in combination with Metoclopramide.Approved, Investigational
MetolazoneThe serum concentration of Metolazone can be increased when it is combined with Propantheline.Approved
MianserinMianserin may increase the anticholinergic activities of Propantheline.Approved, Investigational
MinaprineThe therapeutic efficacy of Propantheline can be decreased when used in combination with Minaprine.Approved
MirabegronThe risk or severity of adverse effects can be increased when Propantheline is combined with Mirabegron.Approved
MorphineThe risk or severity of adverse effects can be increased when Propantheline is combined with Morphine.Approved, Investigational
NabilonePropantheline may increase the tachycardic activities of Nabilone.Approved, Investigational
NalbuphineThe risk or severity of adverse effects can be increased when Propantheline is combined with Nalbuphine.Approved
NeostigmineThe therapeutic efficacy of Propantheline can be decreased when used in combination with Neostigmine.Approved, Vet Approved
NicomorphineThe risk or severity of adverse effects can be increased when Propantheline is combined with Nicomorphine.Experimental
NormethadoneThe risk or severity of adverse effects can be increased when Propantheline is combined with Normethadone.Approved, Illicit
OpiumThe risk or severity of adverse effects can be increased when Propantheline is combined with Opium.Approved, Illicit
OrphenadrineThe risk or severity of adverse effects can be increased when Propantheline is combined with Orphenadrine.Approved
OtiloniumThe risk or severity of adverse effects can be increased when Propantheline is combined with Otilonium.Experimental, Investigational
OxitropiumThe risk or severity of adverse effects can be increased when Propantheline is combined with Oxitropium.Investigational
OxybutyninThe risk or severity of adverse effects can be increased when Propantheline is combined with Oxybutynin.Approved, Investigational
OxycodoneThe risk or severity of adverse effects can be increased when Propantheline is combined with Oxycodone.Approved, Illicit, Investigational
OxymorphoneThe risk or severity of adverse effects can be increased when Propantheline is combined with Oxymorphone.Approved, Investigational, Vet Approved
OxyphenoniumThe risk or severity of adverse effects can be increased when Propantheline is combined with Oxyphenonium.Approved
PancuroniumThe risk or severity of adverse effects can be increased when Propantheline is combined with Pancuronium.Approved
ParaoxonThe therapeutic efficacy of Propantheline can be decreased when used in combination with Paraoxon.Experimental
PentazocineThe risk or severity of adverse effects can be increased when Propantheline is combined with Pentazocine.Approved, Vet Approved
PentoliniumThe risk or severity of adverse effects can be increased when Propantheline is combined with Pentolinium.Approved
PethidineThe risk or severity of adverse effects can be increased when Propantheline is combined with Pethidine.Approved
PhenazocineThe risk or severity of adverse effects can be increased when Propantheline is combined with Phenazocine.Experimental
PhenglutarimideThe risk or severity of adverse effects can be increased when Phenglutarimide is combined with Propantheline.Experimental
PhenoperidineThe risk or severity of adverse effects can be increased when Propantheline is combined with Phenoperidine.Experimental
PhysostigmineThe therapeutic efficacy of Propantheline can be decreased when used in combination with Physostigmine.Approved
PipecuroniumThe risk or severity of adverse effects can be increased when Propantheline is combined with Pipecuronium.Approved
PirenzepineThe risk or severity of adverse effects can be increased when Propantheline is combined with Pirenzepine.Approved
PiritramideThe risk or severity of adverse effects can be increased when Propantheline is combined with Piritramide.Investigational
PolythiazideThe serum concentration of Polythiazide can be increased when it is combined with Propantheline.Approved
Potassium ChloridePropantheline may increase the ulcerogenic activities of Potassium Chloride.Approved, Withdrawn
PramlintidePramlintide may increase the anticholinergic activities of Propantheline.Approved, Investigational
ProcyclidineThe risk or severity of adverse effects can be increased when Procyclidine is combined with Propantheline.Approved
PropiverineThe risk or severity of adverse effects can be increased when Propantheline is combined with Propiverine.Approved, Investigational
PyridostigmineThe therapeutic efficacy of Propantheline can be decreased when used in combination with Pyridostigmine.Approved
QuinethazoneThe serum concentration of Quinethazone can be increased when it is combined with Propantheline.Approved
QuinidineThe risk or severity of adverse effects can be increased when Propantheline is combined with Quinidine.Approved
RamosetronPropantheline may increase the constipating activities of Ramosetron.Approved, Investigational
RemifentanilThe risk or severity of adverse effects can be increased when Propantheline is combined with Remifentanil.Approved
RivastigmineThe therapeutic efficacy of Propantheline can be decreased when used in combination with Rivastigmine.Approved, Investigational
ScopolamineThe risk or severity of adverse effects can be increased when Scopolamine is combined with Propantheline.Approved
SecretinThe therapeutic efficacy of Secretin can be decreased when used in combination with Propantheline.Approved, Investigational
SolifenacinThe risk or severity of adverse effects can be increased when Propantheline is combined with Solifenacin.Approved
SufentanilThe risk or severity of adverse effects can be increased when Propantheline is combined with Sufentanil.Approved, Investigational
SulpirideThe therapeutic efficacy of Sulpiride can be decreased when used in combination with Propantheline.Approved, Investigational
TacrineThe therapeutic efficacy of Propantheline can be decreased when used in combination with Tacrine.Investigational, Withdrawn
TapentadolThe risk or severity of adverse effects can be increased when Propantheline is combined with Tapentadol.Approved
TilidineThe risk or severity of adverse effects can be increased when Propantheline is combined with Tilidine.Experimental
TiotropiumPropantheline may increase the anticholinergic activities of Tiotropium.Approved
TolterodineThe risk or severity of adverse effects can be increased when Propantheline is combined with Tolterodine.Approved, Investigational
TopiramateThe risk or severity of adverse effects can be increased when Propantheline is combined with Topiramate.Approved
TramadolThe risk or severity of adverse effects can be increased when Propantheline is combined with Tramadol.Approved, Investigational
TrichlorfonThe therapeutic efficacy of Propantheline can be decreased when used in combination with Trichlorfon.Vet Approved
TrichlormethiazideThe serum concentration of Trichlormethiazide can be increased when it is combined with Propantheline.Approved, Vet Approved
TrihexyphenidylThe risk or severity of adverse effects can be increased when Trihexyphenidyl is combined with Propantheline.Approved
TrimethaphanThe risk or severity of adverse effects can be increased when Propantheline is combined with Trimethaphan.Approved, Investigational
TropatepineThe risk or severity of adverse effects can be increased when Propantheline is combined with Tropatepine.Experimental
TropicamideThe risk or severity of adverse effects can be increased when Tropicamide is combined with Propantheline.Approved
TrospiumThe risk or severity of adverse effects can be increased when Propantheline is combined with Trospium.Approved
TubocurarineThe risk or severity of adverse effects can be increased when Propantheline is combined with Tubocurarine.Approved
UmeclidiniumPropantheline may increase the anticholinergic activities of Umeclidinium.Approved
VecuroniumThe risk or severity of adverse effects can be increased when Propantheline is combined with Vecuronium.Approved
Food Interactions
Not Available

References

General References
Not Available
External Links
Human Metabolome Database
HMDB14920
KEGG Compound
C07506
PubChem Compound
4934
PubChem Substance
46507187
ChemSpider
4765
ChEBI
8481
ChEMBL
CHEMBL1180725
Therapeutic Targets Database
DAP001123
PharmGKB
PA164746224
IUPHAR
329
Guide to Pharmacology
GtP Drug Page
Drugs.com
Drugs.com Drug Page
Wikipedia
Propantheline
ATC Codes
A03CA34 — Propantheline and psycholepticsA03AB05 — Propantheline
MSDS
Download (73.8 KB)

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Unknown StatusTreatmentOveractive Bladder Associated With HTLV-11

Pharmacoeconomics

Manufacturers
  • Gd searle llc
  • Shire development inc
  • Ascot hosp pharmaceuticals inc div travenol laboratories inc
  • Heather drug co inc
  • Impax laboratories inc
  • Mylan pharmaceuticals inc
  • Par pharmaceutical inc
  • Private formulations inc
  • Roxane laboratories inc
  • Sandoz inc
  • Tablicaps inc
  • Watson laboratories inc
Packagers
Dosage forms
FormRouteStrength
TabletOral15 mg
TabletOral7.5 mg
Tablet, film coatedOral15 mg/1
Prices
Unit descriptionCostUnit
Propantheline bromide powder7.77USD g
Propantheline Bromide 15 mg tablet0.76USD tablet
Propantheline 15 mg tablet0.6USD tablet
DrugBank does not sell nor buy drugs. Pricing information is supplied for informational purposes only.
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility7.22e-05 mg/mLALOGPS
logP2.66ALOGPS
logP0.36ChemAxon
logS-6.8ALOGPS
pKa (Strongest Acidic)18.1ChemAxon
pKa (Strongest Basic)-7.2ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area35.53 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity119.25 m3·mol-1ChemAxon
Polarizability40.87 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
PropertyValueProbability
Human Intestinal Absorption-0.9327
Blood Brain Barrier+0.9012
Caco-2 permeable+0.6808
P-glycoprotein substrateSubstrate0.7706
P-glycoprotein inhibitor INon-inhibitor0.8742
P-glycoprotein inhibitor IINon-inhibitor0.6149
Renal organic cation transporterInhibitor0.5354
CYP450 2C9 substrateNon-substrate0.7749
CYP450 2D6 substrateNon-substrate0.6028
CYP450 3A4 substrateSubstrate0.7332
CYP450 1A2 substrateInhibitor0.9107
CYP450 2C9 inhibitorNon-inhibitor0.9071
CYP450 2D6 inhibitorInhibitor0.8931
CYP450 2C19 inhibitorNon-inhibitor0.9025
CYP450 3A4 inhibitorNon-inhibitor0.867
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.7234
Ames testNon AMES toxic0.9133
CarcinogenicityNon-carcinogens0.8167
BiodegradationNot ready biodegradable0.6006
Rat acute toxicity2.7150 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9055
hERG inhibition (predictor II)Non-inhibitor0.5772
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as xanthenes. These are polycyclic aromatic compounds containing a xanthene moiety, which consists of two benzene rings joined to each other by a pyran ring.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzopyrans
Sub Class
1-benzopyrans
Direct Parent
Xanthenes
Alternative Parents
Diarylethers / Benzenoids / Tetraalkylammonium salts / Carboxylic acid esters / Oxacyclic compounds / Monocarboxylic acids and derivatives / Organopnictogen compounds / Organic salts / Organic oxides / Hydrocarbon derivatives
show 3 more
Substituents
Xanthene / Diaryl ether / Benzenoid / Quaternary ammonium salt / Tetraalkylammonium salt / Carboxylic acid ester / Carboxylic acid derivative / Ether / Monocarboxylic acid or derivatives / Oxacycle
show 12 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
xanthenes (CHEBI:8481)

Targets

Kind
Protein
Organism
Human
Pharmacological action
Yes
Actions
Antagonist
General Function
Phosphatidylinositol phospholipase c activity
Specific Function
The muscarinic acetylcholine receptor mediates various cellular responses, including inhibition of adenylate cyclase, breakdown of phosphoinositides and modulation of potassium channels through the...
Gene Name
CHRM1
Uniprot ID
P11229
Uniprot Name
Muscarinic acetylcholine receptor M1
Molecular Weight
51420.375 Da
References
  1. 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]
  2. Lukacs VA, Korting HC: [Antiperspirants and deodorants--ingredients and evaluation]. Derm Beruf Umwelt. 1989 Mar-Apr;37(2):53-7. [PubMed:2656175]
  3. Saitoh H, Hasegawa N, Kawai S, Miyazaki K, Arita T: Interaction of tertiary amines and quaternary ammonium compounds with gastrointestinal mucin. J Pharmacobiodyn. 1986 Dec;9(12):1008-14. [PubMed:3572714]
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Drug created on June 13, 2005 07:24 / Updated on December 01, 2017 17:13