Temocillin
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Temocillin
- DrugBank Accession Number
- DB12343
- Background
Temocillin has been investigated in Infection, Liver Dysfunction, and Urinary Tract Infection.
- Type
- Small Molecule
- Groups
- Approved, Investigational
- Structure
- Weight
- Average: 414.45
Monoisotopic: 414.055543276 - Chemical Formula
- C16H18N2O7S2
- Synonyms
- Temocillin
- temocillina
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Adverse Effects
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- Toxicity
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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcemetacin Acemetacin may decrease the excretion rate of Temocillin which could result in a higher serum level. Acenocoumarol Temocillin may increase the anticoagulant activities of Acenocoumarol. Ambroxol The risk or severity of methemoglobinemia can be increased when Temocillin is combined with Ambroxol. Amikacin The serum concentration of Amikacin can be decreased when it is combined with Temocillin. Articaine The risk or severity of methemoglobinemia can be increased when Temocillin is combined with Articaine. - Food Interactions
- Not Available
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Temocillin Sodium 96IIP39ODH 61545-06-0 MRGCZDWBFFUEES-CWBCWDDISA-L
Categories
- ATC Codes
- J01CR50 — Combinations of penicillins
- J01CR — Combinations of penicillins, incl. beta-lactamase inhibitors
- J01C — BETA-LACTAM ANTIBACTERIALS, PENICILLINS
- J01 — ANTIBACTERIALS FOR SYSTEMIC USE
- J — ANTIINFECTIVES FOR SYSTEMIC USE
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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
- 1,3-dicarbonyl compound / Alpha-amino acid or derivatives / Alpha-dipeptide / Aromatic heteropolycyclic compound / Azacycle / Azetidine / Beta-lactam / Carbonyl group / Carboxamide group / Carboxylic acid show 21 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- penicillin (CHEBI:51817)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 03QB156W6I
- CAS number
- 66148-78-5
- 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
References
- General References
- Not Available
- External Links
- PubChem Compound
- 171758
- PubChem Substance
- 347828601
- ChemSpider
- 150149
- 37775
- ChEBI
- 51817
- ChEMBL
- CHEMBL1276310
- Wikipedia
- Temocillin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 4 Completed Treatment Gram-Negative Bacterial Infections / Renal Failure Chronic Requiring Hemodialysis 1 4 Completed Treatment Urinary Tract Infection 1 4 Recruiting Other Hepatic dysfunction / Infection / Urinary Tract Infection 1 4 Unknown Status Treatment Urinary Tract Infection 1 4 Withdrawn Treatment Urinary Tract Infection 1
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
Property Value Source Water Solubility 0.102 mg/mL ALOGPS logP 1.13 ALOGPS logP 1.2 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 3.1 Chemaxon pKa (Strongest Basic) -4.3 Chemaxon Physiological Charge -2 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 133.24 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 94.22 m3·mol-1 Chemaxon Polarizability 38.91 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-006x-9214000000-9b4f7c3899d17a63c6fc Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00kb-0009600000-52f0bbfdf6b025bf5cf0 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-03di-0005900000-4779787ad7e77ca189cb Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014j-0239600000-cc47ae45ad85d0964ada Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-003l-2948000000-bb12b32d0015ea9a6494 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00vr-0926000000-97d5437ba8117c66d400 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00kf-8954000000-0ba61d3faa56984ca993 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 195.72575 predictedDeepCCS 1.0 (2019) [M+H]+ 198.1213 predictedDeepCCS 1.0 (2019) [M+Na]+ 204.1238 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 22:01 / Updated at February 21, 2021 18:53