General Information of Drug (ID: DMPZTRC)

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
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
2
Molecular Weight 564.6
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 9
Hydrogen Bond Donor Count 5
Hydrogen Bond Acceptor Count 13
Chemical Identifiers
Formula
C22H24N6O8S2
IUPAC Name
(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
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
GCZOCVAKBHTGOL-ROMZVAKDSA-N
InChIKey
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
Cross-matching ID
PubChem CID
13505813
INTEDE ID
DR2679

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Beta-lactamase (blaB)
Main DME
DEBKS91 A0A1B1FBM9_ACIBA Substrate [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 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.