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

General Information of Drug (ID: DR3491)
Drug Name
BMS-986165
Synonyms .
Indication Psoriasis vulgaris [ICD11: EA90] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 425.5 Topological Polar Surface Area 136
Heavy Atom Count 31 Rotatable Bond Count 7
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
134821691
CAS Number
1609392-27-9
TTD Drug ID
D0S1XX
Formula
C20H22N8O3
Canonical SMILES
[2H]C([2H])([2H])NC(=O)C1=NN=C(C=C1NC2=CC=CC(=C2OC)C3=NN(C=N3)C)NC(=O)C4CC4
InChI
InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29)/i1D3
InChIKey
BZZKEPGENYLQSC-FIBGUPNXSA-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
BMT-153261 DM005045
157021008
Unclear - Unclear 1 [3]
BMT-334616 DM005048 N. A. Conjugation - N-glucuronidation 1 [4]
BMT-334616 DM005048 N. A. Unclear - Unclear 1 [2]
Deucravacitinib M11 metabolite DM005046 N. A. Oxidation - Oxidationn 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005473 BMS-986165 Deucravacitinib M11 metabolite Oxidation - Oxidationn CYP2B6 ... [4]
MR005475 BMS-986165 BMT-334616 Conjugation - N-glucuronidation UGT1A1 [4]
MR013984 BMS-986165 BMT-334616 Unclear - Unclear Unclear [2]
MR013985 BMS-986165 BMT-153261 Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Carboxylesterase 2 (CES2) DME0057 Homo sapiens
EST2_HUMAN
3.1.1.1
[2]
Cytochrome P450 1A2 (CYP1A2) DME0003 Homo sapiens
CP1A2_HUMAN
1.14.14.1
[2]
Cytochrome P450 2B6 (CYP2B6) DME0020 Homo sapiens
CP2B6_HUMAN
1.14.14.1
[2]
Cytochrome P450 2D6 (CYP2D6) DME0009 Homo sapiens
CP2D6_HUMAN
1.14.14.1
[2]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[2]
References
1 ClinicalTrials.gov (NCT04036435) Long-Term Study That Measures the Safety and Efficacy of BMS-986165 in Participants With Psoriasis.. U.S. National Institutes of Health.
2 DrugBank(Pharmacology-Metabolism):BMS-986165
3 Lack of Electrocardiographic Effects of Deucravacitinib in Healthy Subjects
4 DrugBank(Pharmacology-Metabolism):Deucravacitinib

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