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

General Information of Drug (ID: DR5951)
Drug Name
Pemigatinib
Synonyms
Unii-Y6BX7BL23K; UNII-Y6BX7BL23K; Y6BX7BL23K; GTPL9767; SCHEMBL15556271; HCDMJFOHIXMBOV-UHFFFAOYSA-N; example 126 [WO2014007951]; 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-4,7-dihydropyrrolo[4,5]pyrido[1,2-d]pyrimidin-2-one; 3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-8-(morpholin-4-ylmethyl)-1,3,4,7-tetrahydro-2H-pyrrolo[3',2':5,6]pyrido[4,3-d]pyrimidin-2-one; INCB54828
Indication Hepatocellular carcinoma [ICD11: 2C12] Approved [1]
Bladder cancer [ICD11: ICD11: 2C94] Phase 2 [2]
Chronic myelogenous leukaemia [ICD11: ICD11: 2A20] Phase 2 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 487.5 Topological Polar Surface Area 83.2
Heavy Atom Count 35 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 8
Cross-matching ID
PubChem CID
86705695
CAS Number
1513857-77-6
TTD Drug ID
D0O6UY
Formula
C24H27F2N5O4
Canonical SMILES
CCN1C2=C3C=C(NC3=NC=C2CN(C1=O)C4=C(C(=CC(=C4F)OC)OC)F)CN5CCOCC5
InChI
InChI=1S/C24H27F2N5O4/c1-4-30-21-14(11-27-23-16(21)9-15(28-23)13-29-5-7-35-8-6-29)12-31(24(30)32)22-19(25)17(33-2)10-18(34-3)20(22)26/h9-11H,4-8,12-13H2,1-3H3,(H,27,28)
InChIKey
HCDMJFOHIXMBOV-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
O-des-methyl-pemigatinib DM005144 N. A. Unclear - Unclear 1 [8]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR013072 Pemigatinib O-des-methyl-pemigatinib Unclear - Unclear CYP3A4 [8]
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
[4]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[5]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[6]
Cytochrome P450 3A4 (CYP3A4) DME0001 Homo sapiens
CP3A4_HUMAN
1.14.14.55
[7]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
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 The Effect of Respiratory Protective Surgical Mask on Physiological Markers of Endurance Performance in a Recreational Runner
5 Evaluation of drug-drug interactions of pemigatinib in healthy participants
6 Evaluation of the pharmacokinetics of pemigatinib in patients with impaired hepatic or renal function
7 Evaluation of drug-drug interaction potential for pemigatinib using physiologically based pharmacokinetic modeling
8 Direct and Sequential Bioactivation of Pemigatinib to Reactive Iminium Ion Intermediates Culminates in Mechanism-Based Inactivation of Cytochrome P450 3A

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