Temocillin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Name
Temocillin
Accession Number
DB12343
Type
Small Molecule
Groups
Approved, Investigational
Description

Temocillin has been investigated in Infection, Liver Dysfunction, and Urinary Tract Infection.

Structure
Thumb
Synonyms
  • temocillina
Product Ingredients
IngredientUNIICASInChI Key
Temocillin Sodium96IIP39ODH61545-06-0MRGCZDWBFFUEES-CWBCWDDISA-L
Categories
UNII
03QB156W6I
CAS number
66148-78-5
Weight
Average: 414.45
Monoisotopic: 414.055543276
Chemical Formula
C16H18N2O7S2
InChI Key
BVCKFLJARNKCSS-DWPRYXJFSA-N
InChI
InChI=1S/C16H18N2O7S2/c1-15(2)9(12(22)23)18-13(24)16(25-3,14(18)27-15)17-10(19)8(11(20)21)7-4-5-26-6-7/h4-6,8-9,14H,1-3H3,(H,17,19)(H,20,21)(H,22,23)/t8?,9-,14+,16-/m0/s1
IUPAC Name
(2S,5R,6S)-6-[2-carboxy-2-(thiophen-3-yl)acetamido]-6-methoxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid
SMILES
CO[C@]1(NC(=O)C(C(O)=O)C2=CSC=C2)[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
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
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
(R)-warfarinTemocillin may increase the anticoagulant activities of (R)-warfarin.
(S)-WarfarinTemocillin may increase the anticoagulant activities of (S)-Warfarin.
4-hydroxycoumarinTemocillin may increase the anticoagulant activities of 4-hydroxycoumarin.
AcemetacinAcemetacin may decrease the excretion rate of Temocillin which could result in a higher serum level.
AcenocoumarolTemocillin may increase the anticoagulant activities of Acenocoumarol.
Adenovirus type 7 vaccine liveThe therapeutic efficacy of Adenovirus type 7 vaccine live can be decreased when used in combination with Temocillin.
AmikacinThe serum concentration of Amikacin can be decreased when it is combined with Temocillin.
Anthrax immune globulin humanThe therapeutic efficacy of Anthrax immune globulin human can be decreased when used in combination with Temocillin.
Anthrax vaccineThe therapeutic efficacy of Anthrax vaccine can be decreased when used in combination with Temocillin.
ApramycinThe serum concentration of Apramycin can be decreased when it is combined with Temocillin.
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
171758
PubChem Substance
347828601
ChemSpider
150149
ChEBI
51817
ChEMBL
CHEMBL1276310
Wikipedia
Temocillin
ATC Codes
J01CR50 — Combinations of penicillinsJ01CA17 — Temocillin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Not Yet RecruitingTreatmentUrinary Tract Infections (UTIs)1
4Active Not RecruitingTreatmentUrinary Tract Infections (UTIs)1
4RecruitingOtherInfection NOS / Liver Dysfunction / Urinary Tract Infections (UTIs)1
4RecruitingTreatmentUrinary Tract Infections (UTIs)1
4WithdrawnTreatmentUrinary Tract Infections (UTIs)1
Not AvailableNot Yet RecruitingOtherAnti-Bacterial Agents / Bacterial Infections / Drug Monitoring / Infection NOS / Pharmacokinetics / Respiratory Tract Infections (RTI)1
Not AvailableNot Yet RecruitingOtherAntibacterial Agents / Bacterial Infections / Drug Monitoring / Infection NOS / Pharmacokinetics / Temocillin1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.102 mg/mLALOGPS
logP1.13ALOGPS
logP1.2ChemAxon
logS-3.6ALOGPS
pKa (Strongest Acidic)3.1ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-2ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area133.24 Å2ChemAxon
Rotatable Bond Count6ChemAxon
Refractivity94.22 m3·mol-1ChemAxon
Polarizability38.91 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

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
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Dipeptides
Alternative Parents
Penicillins / N-acyl-alpha amino acids and derivatives / 1,3-dicarbonyl compounds / Dicarboxylic acids and derivatives / Thiophenes / Thiazolidines / Tertiary carboxylic acid amides / Heteroaromatic compounds / Secondary carboxylic acid amides / Azetidines
show 8 more
Substituents
Alpha-dipeptide / Penicillin / N-acyl-alpha amino acid or derivatives / Alpha-amino acid or derivatives / Penam / Dicarboxylic acid or derivatives / 1,3-dicarbonyl compound / Beta-lactam / Tertiary carboxylic acid amide / Thiazolidine
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
penicillin (CHEBI:51817)

Drug created on October 20, 2016 16:01 / Updated on November 02, 2018 09:04