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

General Information of Drug (ID: DR1546)
Drug Name
Temafloxacin
Synonyms
Temafloxacin; Temafloxacin [INN:BAN]; Temafloxacina; Temafloxacina [Spanish]; Temafloxacine; Temafloxacine [French]; Temafloxacinum; Temafloxacinum [Latin]; Omniflox; T 1258; A-63004; 1-(2,4-difluorophenyl)-6-fluoro-7-(3-methylpiperazin-1-yl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid; 108319-06-8; 3-Quinolinecarboxylic acid, 1-(2,4-difluorophenyl)-6-fluoro-1,4-dihydro-7-(3-methyl-1-piperazinyl)-4-oxo-; A 62254; Abbott 62254; BRN 4301726; C21H18F3N3O3; CCRIS 6303; CHEBI:77796; NCGC00183857-01
Indication Acute lower respiratory infection [ICD11: CA4Z] Phase 4 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 417.4 Topological Polar Surface Area 72.9
Heavy Atom Count 30 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
60021
ChEBI ID
CHEBI:77796
CAS Number
108319-06-8
TTD Drug ID
D04SBX
Formula
C21H18F3N3O3
Canonical SMILES
CC1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F
InChI
1S/C21H18F3N3O3/c1-11-9-26(5-4-25-11)19-8-18-13(7-16(19)24)20(28)14(21(29)30)10-27(18)17-3-2-12(22)6-15(17)23/h2-3,6-8,10-11,25H,4-5,9H2,1H3,(H,29,30)
InChIKey
QKDHBVNJCZBTMR-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
AQ DM005767 N. A. Oxidation - Oxidationn 1 [3] , [4]
EDA DM005765 N. A. Oxidation - Oxidationn 1 [3] , [4]
MEDA DM005766 N. A. Oxidation - Oxidationn 1 [3] , [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006157 Temafloxacin EDA Oxidation - Oxidationn Unclear [3], [4]
MR006158 Temafloxacin MEDA Oxidation - Oxidationn Unclear [3], [4]
MR006159 Temafloxacin AQ Oxidation - Oxidationn Unclear [3], [4]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800000542)
2 Inhibitory potency of quinolone antibacterial agents against cytochrome P450IA2 activity in vivo and in vitro. Antimicrob Agents Chemother. 1992 May;36(5):942-8.
3 Pharmacokinetics of temafloxacin in humans after single oral doses
4 High-performance liquid chromatographic procedures for the determination of temafloxacin in biological matrices

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