Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Ceftazidime BATSI
- DrugBank Accession Number
- DB04035
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Ceftazidime BATSI (DB04035)
- Weight
- Average: 330.125
Monoisotopic: 330.080535388 - Chemical Formula
- C10H15BN4O6S
- Synonyms
- Not Available
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
Target Actions Organism UBeta-lactamase Not Available Escherichia coli (strain K12) UBeta-lactamase TEM Not Available Escherichia coli UBeta-lactamase CTX-M Not Available Escherichia coli - 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as 2,4-disubstituted thiazoles. These are compounds containing a thiazole ring substituted at the positions 2 and 3.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Azoles
- Sub Class
- Thiazoles
- Direct Parent
- 2,4-disubstituted thiazoles
- Alternative Parents
- 2-amino-1,3-thiazoles / Heteroaromatic compounds / Secondary carboxylic acid amides / Boronic acids / Amino acids / Organic metalloid salts / Monocarboxylic acids and derivatives / Carboxylic acids / Azacyclic compounds / Primary amines show 5 more
- Substituents
- 1,3-thiazol-2-amine / 2,4-disubstituted 1,3-thiazole / Alkylborane / Amine / Amino acid / Amino acid or derivatives / Aromatic heteromonocyclic compound / Azacycle / Boronic acid / Boronic acid derivative show 19 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- monocarboxylic acid, monocarboxylic acid amide, 1,3-thiazole, boronic acids (CHEBI:41354)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- ZECCQELUYUPTSB-UUASQNMZSA-N
- InChI
- InChI=1S/C10H15BN4O6S/c1-10(2,8(17)18)21-15-6(5-3-22-9(12)14-5)7(16)13-4-11(19)20/h3,19-20H,4H2,1-2H3,(H2,12,14)(H,13,16)(H,17,18)/b15-6-
- IUPAC Name
- 2-{[(Z)-[(2-amino-1,3-thiazol-4-yl)({[(dihydroxyboranyl)methyl]carbamoyl})methylidene]amino]oxy}-2-methylpropanoic acid
- SMILES
- CC(C)(O\N=C(/C(=O)NCB(O)O)C1=CSC(N)=N1)C(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 5849540
- PubChem Substance
- 46505116
- ChemSpider
- 4722090
- BindingDB
- 50370963
- ChEMBL
- CHEMBL1231661
- ZINC
- ZINC000169748484
- PDBe Ligand
- CB4
- PDB Entries
- 1iem / 1jwv / 1m40 / 1yly / 1ylz / 4ua9 / 5chm / 5glb / 5gld / 6afn … show 3 more
Clinical Trials
- Clinical Trials
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Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.115 mg/mL ALOGPS logP 0.16 ALOGPS logP -0.06 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 2.75 Chemaxon pKa (Strongest Basic) 3.87 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 167.36 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 71.43 m3·mol-1 Chemaxon Polarizability 31.59 Å3 Chemaxon Number of Rings 1 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.8861 Blood Brain Barrier - 0.6297 Caco-2 permeable - 0.6322 P-glycoprotein substrate Substrate 0.5176 P-glycoprotein inhibitor I Non-inhibitor 0.8712 P-glycoprotein inhibitor II Non-inhibitor 0.9812 Renal organic cation transporter Non-inhibitor 0.9557 CYP450 2C9 substrate Non-substrate 0.8208 CYP450 2D6 substrate Non-substrate 0.8058 CYP450 3A4 substrate Non-substrate 0.5831 CYP450 1A2 substrate Non-inhibitor 0.7403 CYP450 2C9 inhibitor Non-inhibitor 0.7514 CYP450 2D6 inhibitor Non-inhibitor 0.8851 CYP450 2C19 inhibitor Non-inhibitor 0.6896 CYP450 3A4 inhibitor Non-inhibitor 0.6334 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.8756 Ames test Non AMES toxic 0.5085 Carcinogenicity Non-carcinogens 0.631 Biodegradation Not ready biodegradable 0.9962 Rat acute toxicity 2.5996 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9988 hERG inhibition (predictor II) Non-inhibitor 0.8531
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Beta-lactamase activity
- Specific Function
- This protein is a serine beta-lactamase with a substrate specificity for cephalosporins.
- Gene Name
- ampC
- Uniprot ID
- P00811
- Uniprot Name
- Beta-lactamase
- Molecular Weight
- 41555.3 Da
References
- 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. [Article]
- Kind
- Protein
- Organism
- Escherichia coli
- Pharmacological action
- Unknown
- General Function
- TEM-type are the most prevalent beta-lactamases in enterobacteria; they hydrolyze the beta-lactam bond in susceptible beta-lactam antibiotics, thus conferring resistance to penicillins and cephalosporins. TEM-3 and TEM-4 are capable of hydrolyzing cefotaxime and ceftazidime. TEM-5 is capable of hydrolyzing ceftazidime. TEM-6 is capable of hydrolyzing ceftazidime and aztreonam. TEM-8/CAZ-2, TEM-16/CAZ-7 and TEM-24/CAZ-6 are markedly active against ceftazidime. IRT-4 shows resistance to beta-lactamase inhibitors.
- Specific Function
- Beta-lactamase activity
- Gene Name
- bla
- Uniprot ID
- P62593
- Uniprot Name
- Beta-lactamase TEM
- Molecular Weight
- 31514.865 Da
References
- 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. [Article]
- Kind
- Protein group
- Organism
- Escherichia coli
- Pharmacological action
- Unknown
- General Function
- Not Available
- Specific Function
- Beta-lactamase activity
Components:
References
- 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. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52