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

General Information of Drug (ID: DR3475)
Drug Name
BMS-986205
Synonyms
KRTIYQIPSAGSBP-KLAILNCOSA-N; 1923833-60-6; BMS986205; UNII-0A7729F42K; 0A7729F42K; GTPL9707; SCHEMBL18826792; SCHEMBL17740982; SCHEMBL19105151; EX-A2606; AKOS032954040; HY-101560; CS-0021719; Q29213697; (R)-N-(4-chlorophenyl)-2-((1s,4S)-4-(6-fluoroquinolin-4-yl)cyclohexyl)propanamide; (2R)-N-(4-chlorophenyl)-2-[4-(6-fluoroquinolin-4-yl)cyclohexyl]propanamide; (2R)-N-(4-Chlorophenyl)-2-(4-(6-fluoro-4-quinolyl)cyclohexyl)propanamide, cis; Cyclohexaneacetamide, N-(4-chlorophenyl)-4-(6-fluoro-4-quinolinyl)-alpha-methyl-, cis-(alphaR)-
Indication Melanoma [ICD11: 2C30] Phase 3 [1]
Renal cell carcinoma [ICD11: ICD11: 2C90] Phase 2 [2]
Stomach cancer [ICD11: ICD11: 2B72] Phase 2 [3]
Advanced cancer [ICD11: ICD11: 2A00-2F9Z] Phase 1 [4]
Solid tumour/cancer [ICD11: ICD11: 2A00-2F9Z] Phase 1 [5]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 410.9 Topological Polar Surface Area 42
Heavy Atom Count 29 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Cross-matching ID
PubChem CID
121328278
CAS Number
1923833-60-6
TTD Drug ID
D0DP5I
Formula
C24H24ClFN2O
Canonical SMILES
C[C@H](C1CCC(CC1)C2=C3C=C(C=CC3=NC=C2)F)C(=O)NC4=CC=C(C=C4)Cl
InChI
InChI=1S/C24H24ClFN2O/c1-15(24(29)28-20-9-6-18(25)7-10-20)16-2-4-17(5-3-16)21-12-13-27-23-11-8-19(26)14-22(21)23/h6-17H,2-5H2,1H3,(H,28,29)/t15-,16?,17?/m1/s1
InChIKey
KRTIYQIPSAGSBP-KLAILNCOSA-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-chloro aniline DM014911
7812
Unclear - Unclear 1 [6]
2-amino-5-chlorophenol DM015095
91591
Unclear - Unclear 2 [6]
4-aminophenol DM003816
403
Unclear - Unclear 2 [6]
4-chloro-N-acetanilide DM014943
10871
Unclear - Unclear 2 [6]
4-chloro-N-phenyl hydroxylamine DM015056
69983
Unclear - Unclear 2 [6]
2-amino-5-chlorophenyl sulfate DM016742
152756389
Unclear - Unclear 3 [6]
4-chloroglycolanilide DM015842
13600665
Unclear - Unclear 3 [6]
4-chloronitrosobenzene DM014956
13614
Unclear - Unclear 3 [6]
4-chlorooxalinic acid DM015424
4962375
Unclear - Unclear 4 [6]
N-acetyl-2-amino-5-chlorophenyl sulfate DM017588 N. A. Unclear - Unclear 4 [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009047 BMS-986205 4-chloro aniline Unclear - Unclear Unclear [6]
MR009048 4-chloro aniline 4-chloro-N-acetanilide Unclear - Unclear Unclear [6]
MR009051 4-chloro aniline 2-amino-5-chlorophenol Unclear - Unclear Unclear [6]
MR009054 4-chloro aniline 4-chloro-N-phenyl hydroxylamine Unclear - Unclear Unclear [6]
MR009056 4-chloro aniline 4-amino phenol Unclear - Unclear Unclear [6]
MR009052 2-amino-5-chlorophenol 2-amino-5-chlorophenyl sulfate Unclear - Unclear Unclear [6]
MR009049 4-chloro-N-acetanilide 4-chloroglycolanilide Unclear - Unclear Unclear [6]
MR009055 4-chloro-N-phenyl hydroxylamine 4-chloronitrosobenzene Unclear - Unclear Unclear [6]
MR009053 2-amino-5-chlorophenyl sulfate N-acetyl-2-amino-5-chlorophenyl sulfate Unclear - Unclear Unclear [6]
MR009050 4-chloroglycolanilide 4-chlorooxalinic acid Unclear - Unclear Unclear [6]
⏷ Show the Full List of 10 MR(s)
References
1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
5 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
6 Quantification of Linrodostat and its metabolites: Overcoming bioanalytical challenges in support of a discovery Indoleamine 2,3 dioxygenase program

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