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

General Information of Drug (ID: DR1874)
Drug Name
INCB-024360
Synonyms
Epacadostat; Epacadostat (INCB024360); Epacadostat (JAN/USAN/INN); Epacadostat [USAN:INN]; Epacadostat(INCB 024360); FBKMWOJEPMPVTQ-UHFFFAOYSA-N; IDO inhibitor 1; SCHEMBL145945; epacadostat-incb024360; 1204669-37-3; 1204669-58-8; 71596A9R13; AK174791; BCP10561; BDBM222999; CHEMBL3545369; EX-A793; GTPL8221; INCB 024360; INCB 24360; INCB-024360; INCB024360; N-(3-bromo-4-fluorophenyl)-N'-hydroxy-4-{[2-(sulfamoylamino)ethyl]amino}-1,2,5-oxadiazole-3-carboximidamide; SCHEMBL18823200; SCHEMBL19808101; UNII-71596A9R13
Indication Renal cell carcinoma [ICD11: 2C90] Phase 3 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 438.24 Topological Polar Surface Area 176
Heavy Atom Count 25 Rotatable Bond Count 8
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 11
Cross-matching ID
PubChem CID
135564890
CAS Number
1204669-58-8
TTD Drug ID
D0PM5U
Formula
C11H13BrFN7O4S
Canonical SMILES
C1=CC(=C(C=C1N=C(C2=NON=C2NCCNS(=O)(=O)N)NO)Br)F
InChI
1S/C11H13BrFN7O4S/c12-7-5-6(1-2-8(7)13)17-11(18-21)9-10(20-24-19-9)15-3-4-16-25(14,22)23/h1-2,5,16,21H,3-4H2,(H,15,20)(H,17,18)(H2,14,22,23)
InChIKey
FBKMWOJEPMPVTQ-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
INCB-024360 Metabolite M11 DM003223
66615461
Unclear 1 [3]
INCB-024360 Metabolite M9 DM003225 N. A. Conjugation - Glucuronidation 1 [3]
INCB-024360 Metabolite M12 DM003224 N. A. Oxidation - N-dealkylation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR003659 INCB-024360 INCB-024360 Metabolite M11 Unclear Unclear [3]
MR003661 INCB-024360 INCB-024360 Metabolite M9 Conjugation - Glucuronidation UGT1A9 [3]
MR003660 INCB-024360 Metabolite M11 INCB-024360 Metabolite M12 Oxidation - N-dealkylation CYP3A4 ... [3]
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]
Mephenytoin 4-hydroxylase (CYP2C19) DME0021 Homo sapiens
CP2CJ_HUMAN
1.14.14.1
[3]
UDP-glucuronosyltransferase 1A9 (UGT1A9) DME0042 Homo sapiens
UD19_HUMAN
2.4.1.17
[3]
References
1 ClinicalTrials.gov (NCT03361865) Pembrolizumab in Combination With Epacadostat or Placebo in Cisplatin-ineligible Urothelial Carcinoma (KEYNOTE-672/ECHO-307).
2 Limitations and off-target effects of tryptophan-related IDO inhibitors in cancer treatment. Front Immunol. 2019 Jul 30;10:1801.
3 Roles of UGT, P450, and Gut Microbiota in the Metabolism of Epacadostat in Humans

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