Temocillin

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

Identification

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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
  • Temocillin
  • 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
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
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.
AlcuroniumThe therapeutic efficacy of Alcuronium can be increased when used in combination with Temocillin.
AmikacinThe serum concentration of Amikacin can be decreased when it is combined with Temocillin.
ApramycinThe serum concentration of Apramycin can be decreased when it is combined with Temocillin.
ArbekacinThe serum concentration of Arbekacin can be decreased when it is combined with Temocillin.
AtenololThe bioavailability of Atenolol can be decreased when combined with Temocillin.
Additional Data Available
  • Extended Description
    Extended Description

    Extended description of the mechanism of action and particular properties of each drug interaction.

    Learn more
  • Severity
    Severity

    A severity rating for each drug interaction, from minor to major.

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  • Evidence Level
    Evidence Level

    A rating for the strength of the evidence supporting each drug interaction.

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  • Action
    Action

    An effect category for each drug interaction. Know how this interaction affects the subject drug.

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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
3RecruitingTreatmentUrinary Tract Infection1
4Active Not RecruitingTreatmentUrinary Tract Infection1
4CompletedTreatmentGram-Negative Bacterial Infections / Renal Failure Chronic Requiring Hemodialysis1
4CompletedTreatmentUrinary Tract Infection1
4RecruitingOtherInfection NOS / Liver Dysfunction / Urinary Tract Infection1
4WithdrawnTreatmentUrinary Tract Infection1
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, 2019 04:36