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

General Information of Drug (ID: DR3058)
Drug Name
BMS-204352
Synonyms
Flindokalner; MaxiPost; BMS-204352; 187523-35-9; Flindokalner [USAN:INN]; UNII-J57O328W4W; (3S)-3-(5-Chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one; BMS 204352; J57O328W4W; 2H-Indol-2-one, 3-(5-chloro-2-methoxyphenyl)-3-fluoro-1,3-dihydro-6-(trifluoromethyl)-, (3S)-; Maxipost (TN); (s)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)indolin-2-one; (3S)-3-(5-chloro-2-methoxyphenyl)-3-fluoro-6-(trifluoromethyl)-1H-indol-2-one; Bms204352; Flindokalner (USAN/INN); AC1Q4JQL; AC1L4WO7
Indication Nerve injury [ICD11: ND56] Discontinued in Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 359.7 Topological Polar Surface Area 38.3
Heavy Atom Count 24 Rotatable Bond Count 2
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
214350
CAS Number
187523-35-9
TTD Drug ID
D0S6QR
Formula
C16H10ClF4NO2
Canonical SMILES
COC1=C(C=C(C=C1)Cl)[C@]2(C3=C(C=C(C=C3)C(F)(F)F)NC2=O)F
InChI
InChI=1S/C16H10ClF4NO2/c1-24-13-5-3-9(17)7-11(13)15(18)10-4-2-8(16(19,20)21)6-12(10)22-14(15)23/h2-7H,1H3,(H,22,23)/t15-/m0/s1
InChIKey
ULYONBAOIMCNEH-HNNXBMFYSA-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
BMS-204352 Metabolite M1 DM017885 N. A. Conjugation - Glucuronidation 1 [3]
BMS-204352 Metabolite M2 DM017884 N. A. Unclear - Unclear 1 [2]
BMS-204352 Metabolite M3 DM015198
151170
Hydrolysis - Hydrolysis 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009443 BMS-204352 BMS-204352 Metabolite M2 Unclear - Unclear CYP3A4 [2]
MR009445 BMS-204352 BMS-204352 Metabolite M1 Conjugation - Glucuronidation UGT2B7 [3]
MR009444 BMS-204352 Metabolite M2 BMS-204352 Metabolite M3 Hydrolysis - Hydrolysis Unclear [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
UDP-glucuronosyltransferase 2B7 (UGT2B7) DME0040 Homo sapiens
UD2B7_HUMAN
2.4.1.17
[2]
References
1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2307).
2 Metabolism, pharmacokinetics, and protein covalent binding of radiolabeled MaxiPost (BMS-204352) in humans
3 Amide N-glucuronidation of MaxiPost catalyzed by UDP-glucuronosyltransferase 2B7 in humans

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