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

General Information of Drug (ID: DR5347)
Drug Name
Capmatinib
Synonyms
1029712-80-8; INCB28060; INC-280; INC280; UNII-TY34L4F9OZ; 2-fluoro-N-methyl-4-(7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl)benzamide; INC28060; INCB-28060; INCB28060(Capmatinib); NVP-INC280; TY34L4F9OZ; Capmatinib (INCB28060); INCB 28060; 2-Fluoro-N-methyl-4-[7-[(quinolin-6-yl)methyl]imidazo[1,2-b]-[1,2,4]triazin-2-yl]benzamide; BenzaMide, 2-fluoro-N-Methyl-4-[7-(6-quinolinylMethyl)iMidazo[1,2-b][1,2,4]triazin-2-yl]-; C23H17FN6O
Indication Lung cancer [ICD11: 2C25] Approved [1]
Hepatocellular carcinoma [ICD11: ICD11: 2C12] Phase 2 [2]
Brain cancer [ICD11: ICD11: 2A00] Phase 1 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 412.4 Topological Polar Surface Area 85.1
Heavy Atom Count 31 Rotatable Bond Count 4
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 6
Cross-matching ID
PubChem CID
25145656
CAS Number
1029712-80-8
TTD Drug ID
D07OJZ
Formula
C23H17FN6O
Canonical SMILES
CNC(=O)C1=C(C=C(C=C1)C2=NN3C(=CN=C3N=C2)CC4=CC5=C(C=C4)N=CC=C5)F
InChI
InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)
InChIKey
LIOLIMKSCNQPLV-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
Capmatinib M13 DM005034
57971177
Unclear 1 [4]
Capmatinib M16 DM005037 N. A. Unclear 1 [4]
Capmatinib M18 DM005024
59420946
Unclear 1 [4]
Capmatinib M19 DM005039 N. A. Unclear 1 [4]
Capmatinib M21 DM005040 N. A. Unclear 1 [4]
Capmatinib M26 DM005028 N. A. Reduction - Hydrogenation 1 [4]
Capmatinib M41 DM005041 N. A. Unclear 1 [4]
Capmatinib M48 DM005042 N. A. Unclear 1 [4]
Capmatinib M8 DM005038 N. A. Unclear 1 [4]
Capmatinib M27 DM005029 N. A. Reduction - Hydrogenation 2 [4]
Capmatinib M33 DM005033 N. A. Reduction - Hydrogenation 2 [4]
Capmatinib M37 DM005031 N. A. Reduction - Hydrogenation 2 [4]
Capmatinib M4 DM005027 N. A. Unclear 2 [4]
Capmatinib M40 DM005025 N. A. Oxidation - Oxidationn 2 [4]
Capmatinib M50 DM005035 N. A. Unclear 2 [4]
Capmatinib M52 DM005036 N. A. Unclear 2 [4]
Capmatinib M10 DM005032 N. A. Reduction - Hydrogenation 3 [4]
Capmatinib M2 DM005026 N. A. Oxidation - Oxidationn 3 [4]
Capmatinib M2 DM005026 N. A. Unclear 3 [4]
Capmatinib M44 DM005030 N. A. Reduction - Hydrogenation 3 [4]
⏷ Show the Full List of 20  DM(s)
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005450 Capmatinib Capmatinib M18 Unclear Unclear [4]
MR005455 Capmatinib Capmatinib M26 Reduction - Hydrogenation Unclear [4]
MR005461 Capmatinib Capmatinib M13 Unclear Unclear [4]
MR005464 Capmatinib Capmatinib M16 Unclear XDH ... [4]
MR005465 Capmatinib Capmatinib M8 Unclear Unclear [4]
MR005466 Capmatinib Capmatinib M19 Unclear XDH ... [4]
MR005467 Capmatinib Capmatinib M21 Unclear Unclear [4]
MR005468 Capmatinib Capmatinib M41 Unclear Unclear [4]
MR005469 Capmatinib Capmatinib M48 Unclear Unclear [4]
MR005462 Capmatinib M13 Capmatinib M50 Unclear Unclear [4]
MR005463 Capmatinib M13 Capmatinib M52 Unclear Unclear [4]
MR005451 Capmatinib M18 Capmatinib M40 Oxidation - Oxidationn Unclear [4]
MR005453 Capmatinib M18 Capmatinib M4 Unclear Unclear [4]
MR005456 Capmatinib M26 Capmatinib M27 Reduction - Hydrogenation Unclear [4]
MR005458 Capmatinib M26 Capmatinib M37 Reduction - Hydrogenation Unclear [4]
MR005460 Capmatinib M26 Capmatinib M33 Reduction - Hydrogenation Unclear [4]
MR005457 Capmatinib M27 Capmatinib M44 Reduction - Hydrogenation Unclear [4]
MR005459 Capmatinib M37 Capmatinib M10 Reduction - Hydrogenation Unclear [4]
MR005454 Capmatinib M4 Capmatinib M2 Oxidation - Oxidationn Unclear [4]
MR005452 Capmatinib M40 Capmatinib M2 Unclear Unclear [4]
⏷ Show the Full List of 20 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Aldehyde oxidase (AOX1) DME0052 Homo sapiens
AOXA_HUMAN
1.2.3.1
[4]
Cytochrome P450 1A1 (CYP1A1) DME0006 Homo sapiens
CP1A1_HUMAN
1.14.14.1
[4]
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]
Xanthine dehydrogenase/oxidase (XDH) DME0070 Homo sapiens
XDH_HUMAN
1.17.1.4
[4]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
2 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800031741)
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
4 Absorption, Distribution, Metabolism, and Excretion of Capmatinib (INC280) in Healthy Male Volunteers and In Vitro Aldehyde Oxidase Phenotyping of the Major Metabolite
5 Pharmacokinetics of capmatinib in participants with hepatic impairment: A phase 1, open-label, single-dose, parallel-group study

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