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

General Information of Drug (ID: DR1153)
Drug Name
UP-83
Synonyms
Acide niflumique; Acide niflumique [French]; Acide niflumique [INN-French]; Acido niflumico; Acido niflumico [INN-Spanish]; Acido niflumico [Italian]; Acidum niflumicum; Acidum niflumicum [INN-Latin]; Forenol; Landruma; Niflumate; Nifluminic acid; Nifluril; niflumic acid; 2-(3-(Trifluoromethyl)-phenyl)aminonicotinic acid; 2-(3-(Trifluoromethyl)anilino)nicotinic acid; 2-(3-Trifluoromethylanilino)nicotinic Acid; 2-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-carboxylic acid; 4394-00-7; Actol; UP 83
Indication Rheumatoid arthritis [ICD11: FA20] Phase 1 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 282.22 Topological Polar Surface Area 62.2
Heavy Atom Count 20 Rotatable Bond Count 3
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
4488
PubChem SID
586287 ; 832913 ; 855922 ; 3154432 ; 7403766 ; 7889362 ; 7980125 ; 8149792 ; 8152765 ; 10321830 ; 10522919 ; 10589648 ; 11111518 ; 11111519 ; 11119995 ; 11120483 ; 11120971 ; 11121458 ; 11121938 ; 11147078 ; 11335452 ; 11360691 ; 11362527 ; 11364247 ; 11365089 ; 11366809 ; 11367651 ; 11369371 ; 11370325 ; 11370326 ; 11372668 ; 11373252 ; 11373644 ; 11375813 ; 11377533 ; 11461663 ; 11466283 ; 11467403 ; 11484664 ; 11486025 ; 11488610 ; 11491300 ; 11491858 ; 11495167 ; 14720380 ; 14750946 ; 17405406 ; 24278582 ; 26612255 ; 26679975
ChEBI ID
CHEBI:34888
CAS Number
4394-00-7
TTD Drug ID
D00HGB
Formula
C13H9F3N2O2
Canonical SMILES
C1=CC(=CC(=C1)NC2=C(C=CC=N2)C(=O)O)C(F)(F)F
InChI
1S/C13H9F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)18-11-10(12(19)20)5-2-6-17-11/h1-7H,(H,17,18)(H,19,20)
InChIKey
JZFPYUNJRRFVQU-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
4'-hydroxyniflumic acid DM005638
626891
Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR006017 UP-83 4'-hydroxyniflumic acid Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
UDP-glucuronosyltransferase 1A1 (UGT1A1) DME0004 Homo sapiens
UD11_HUMAN
2.4.1.17
[2]
References
1 A clinical investigation of niflumic acid in the treatment of rheumatoid arthritis. Scand J Rheumatol Suppl. 1973;1:8-11.
2 Identification of human UDP-glucuronosyltransferase responsible for the glucuronidation of niflumic acid in human liver. Pharm Res. 2006 Jul;23(7):1502-8.
3 Detection of the non-steroidal anti-inflammatory drug niflumic acid in humans: a combined 19F-MRS in vivo and in vitro study

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