Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2679)
Drug Name
Ceftazidine
Synonyms
Ceftazidine [INN]; Ceftazidine [USAN]; Ceftazidine [IBAN]; (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-8-oxo-3-(pyridin-1-ium-1-ylmethyl)-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydroxide
Indication Meningitis [ICD11: 1A62] Phase 4 [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 564.6 Topological Polar Surface Area 243
Heavy Atom Count 38 Rotatable Bond Count 9
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 13
Cross-matching ID
PubChem CID
13505813
Formula
C22H24N6O8S2
Canonical SMILES
CC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4=CC=CC=C4)C(=O)O.[OH-]
InChI
1S/C22H22N6O7S2.H2O/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27;/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34);1H2/b26-13-;/t14-,18-;/m1./s1
InChIKey
GCZOCVAKBHTGOL-ROMZVAKDSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Ceftazidine M1 PDM007378 N. A. Hydrolysis - Hydrolysis of cyclic tertiary carboxamide 1 Human
Ceftazidine M2 PDM007379 N. A. Conjugation - Glycine conjugation 1 Human
Ceftazidine M3 PDM007380 N. A. Conjugation - Glycine conjugation 1 Human
Ceftazidine M4 PDM007381 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
Ceftazidine M5 PDM007382 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
Ceftazidine M6 PDM007383 N. A. Conjugation - Glucuronidation of primary aromatic amine 1 Human
Ceftazidine M7 PDM007384 N. A. Conjugation - Carnitine conjugation 1 Human
Ceftazidine M8 PDM007385 N. A. Conjugation - Carnitine conjugation 1 Human
Ceftazidine M9 PDM007386 N. A. Reduction - Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group 1 Gut microbial environment
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Beta-lactamase (blaB) DME1342 Acinetobacter baumannii
A0A1B1FBM9_ACIBA
3.5.2.6
[2]
References
1 World Health Organization model list of essential medicines: 21st list 2019.
2 Drug-resistant genes carried by Acinetobacter baumanii isolated from patients with lower respiratory tract infection. Chin Med J (Engl). 2010 Sep;123(18):2571-5.

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