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

General Information of Drug (ID: DR2954)
Drug Name
Amifloxacin
Synonyms
AMIFLOXACIN; 86393-37-5; UNII-5TU5227KYQ; Win49375; WIN-49375; 5TU5227KYQ; 6-Fluoro-1,4-dihydro-1-(methylamino)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid; Amifloxacino; Amifloxacine; Amifloxacinum; Win-493753; Amifloxacinum [Latin]; Amifloxacine [French]; Amifloxacino [Spanish]; Amifloxacin [USAN:INN:BAN]; Win 49375; EINECS 289-231-8; Amifloxacin (USAN/INN); CHEMBL6231; SCHEMBL48001; ZINC917; AC1L1J77; CTK3E8601; DTXSID20235519; Win 49,375; RUXPNBWPIRDVTH-UHFFFAOYSA-N; HY-U00221; AKOS030530713; CS-7366; FT-0711169
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 334.35 Topological Polar Surface Area 76.1
Heavy Atom Count 24 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
55492
CAS Number
86393-37-5
TTD Drug ID
D04MRV
Formula
C16H19FN4O3
Canonical SMILES
CNN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C)F)C(=O)O
InChI
InChI=1S/C16H19FN4O3/c1-18-21-9-11(16(23)24)15(22)10-7-12(17)14(8-13(10)21)20-5-3-19(2)4-6-20/h7-9,18H,3-6H2,1-2H3,(H,23,24)
InChIKey
RUXPNBWPIRDVTH-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
Amifloxacin N-oxide DM015834
13387902
Unclear - Unclear 1 [1]
N-Desmethylamifloxacin DM006412
145907
Unclear - Unclear 1 [1]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011860 Amifloxacin N-desmethyl-Amifloxacin Unclear - Unclear Unclear [1]
MR011861 Amifloxacin Amifloxacin N-oxide Unclear - Unclear Unclear [1]
References
1 In vitro activities of amifloxacin and two of its metabolites

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