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

General Information of Drug (ID: DR0595)
Drug Name
Erdafitinib
Synonyms
Erdafitinib; Erdafitinib (JNJ-42756493); Erdafitinib (USAN/INN); Erdafitinib [USAN:INN]; JNJ-42756493; JNJ-42756493 (Erdafitinib); JNJ42756493; Balversa; Balversa (TN); SB16854; SCHEMBL2583760; ZINC168520308; compound 4 [WO2011135376]; jnj-42756493-erdafitinib; 1346242-81-6; 890E37NHMV; AC-30222; BCP20346; CHEMBL3545376; CS-4988; DB12147; EX-A2564; GTPL9039; MFCD28502040; N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]-N-propan-2-ylethane-1,2-diamine; UNII-890E37NHMV; s8401
Indication Renal cell carcinoma [ICD11: 2C90] Approved [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 446.5 Topological Polar Surface Area 77.3
Heavy Atom Count 33 Rotatable Bond Count 9
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
67462786
CAS Number
1346242-81-6
TTD Drug ID
D0NW0T
Formula
C25H30N6O2
Canonical SMILES
CC(C)NCCN(C1=CC2=NC(=CN=C2C=C1)C3=CN(N=C3)C)C4=CC(=CC(=C4)OC)OC
InChI
1S/C25H30N6O2/c1-17(2)26-8-9-31(20-10-21(32-4)13-22(11-20)33-5)19-6-7-23-24(12-19)29-25(15-27-23)18-14-28-30(3)16-18/h6-7,10-17,26H,8-9H2,1-5H3
InChIKey
OLAHOMJCDNXHFI-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
Erdafitinib metabolite M11 DM001985
67462786
Unclear 1 [3]
Erdafitinib metabolite M28 DM001990 N. A. Unclear 1 [3]
Erdafitinib metabolite M5 DM001987 N. A. Oxidation - O-Demethylation 1 [3]
Erdafitinib metabolite M6 DM001988 N. A. Oxidation - O-Demethylation 1 [3]
Erdafitinib metabolite M8 DM001989 N. A. Oxidation - N-Dealkylation 1 [3]
Erdafitinib metabolite M27 DM001986 N. A. Oxidation - O-Demethylation 2 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR000917 Erdafitinib Erdafitinib metabolite M11 Unclear CYP2D6 [3]
MR000918 Erdafitinib Erdafitinib metabolite M5 Oxidation - O-Demethylation CYP2D6 [3]
MR000919 Erdafitinib Erdafitinib metabolite M6 Oxidation - O-Demethylation CYP2D6 [3]
MR000920 Erdafitinib Erdafitinib metabolite M8 Oxidation - N-Dealkylation Unclear [3]
MR000921 Erdafitinib Erdafitinib metabolite M28 Unclear CYP2D6 [3]
MR000916 Erdafitinib metabolite M11 Erdafitinib metabolite M27 Oxidation - O-Demethylation Unclear [3]
⏷ Show the Full List of 6 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C9 (CYP2C9) DME0019 Homo sapiens
CP2C9_HUMAN
1.14.14.1
[2]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[2]
References
1 Erdafitinib was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 FDA label of Erdafitinib. The 2020 official website of the U.S. Food and Drug Administration.
3 Metabolism and disposition in rats, dogs, and humans of erdafitinib, an orally administered potent pan-fibroblast growth factor receptor (FGFR) tyrosine kinase inhibitor Xenobiotica. 2021 Feb;51(2):177-193. doi: 10.1080/00498254.2020.1821123.

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