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

General Information of Drug (ID: DR5499)
Drug Name
Tepotinib
Synonyms
1100598-32-0; EMD 1214063; UNII-1IJV77EI07; Tepotinib (EMD 1214063); EMD1214063; 1IJV77EI07; MSC-2156119J; Benzonitrile, 3-[1,6-dihydro-1-[[3-[5-[(1-methyl-4-piperidinyl)methoxy]-2-pyrimidinyl]phenyl]methyl]-6-oxo-3-pyridazinyl]-; C29H28N6O2; Tepotinib [INN]; Benzonitrile, 3-[1,6-Dihydro-1-[[3-[5-[(1-Methyl-4-Piperidinyl)Methoxy]-2-PyriMidinyl]Phenyl]Methyl]-6-Oxo-3-Pyridazinyl]; Benzonitrile, 3-(1,6-dihydro-1-((3-(5-((1-methyl-4-piperidinyl)methoxy)-2-pyrimidinyl)phenyl)methyl)-6-oxo
Indication Lung cancer [ICD11: 2C25] Approved [1]
Hepatocellular carcinoma [ICD11: ICD11: 2C12] Phase 2 [2]
Solid tumour/cancer [ICD11: ICD11: 2A00-2F9Z] Phase 1/2 [3]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 492.6 Topological Polar Surface Area 94.7
Heavy Atom Count 37 Rotatable Bond Count 7
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 7
Cross-matching ID
PubChem CID
25171648
CAS Number
1100598-32-0
TTD Drug ID
D0R8QG
Formula
C29H28N6O2
Canonical SMILES
CN1CCC(CC1)COC2=CN=C(N=C2)C3=CC=CC(=C3)CN4C(=O)C=CC(=N4)C5=CC=CC(=C5)C#N
InChI
InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3
InChIKey
AHYMHWXQRWRBKT-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
TEPCN518 DM005226 N. A. Unclear 1 [5]
TEPCN520 DM005225 N. A. Unclear 1 [5]
TEPCN534a DM005227 N. A. Unclear 1 [5]
TEPCN534b DM005228 N. A. Unclear 1 [5]
Tepotinib M478 metabolite DM005223 N. A. Oxidation - N-demethylation 1 [4]
Tepotinib M506 metabolite DM005222 N. A. Oxidation - Oxidationn 1 [4]
Tepotinib M508 metabolite DM005224 N. A. Oxidation - N-oxidation 1 [4]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR005628 Tepotinib Tepotinib M506 metabolite Oxidation - Oxidationn CYP3A4 ... [4]
MR005629 Tepotinib Tepotinib M478 metabolite Oxidation - N-demethylation Unclear [4]
MR005630 Tepotinib Tepotinib M508 metabolite Oxidation - N-oxidation Unclear [4]
MR005631 Tepotinib TEPCN520 Unclear Unclear [5]
MR005632 Tepotinib TEPCN518 Unclear Unclear [5]
MR005633 Tepotinib TEPCN534a Unclear Unclear [5]
MR005634 Tepotinib TEPCN534b Unclear Unclear [5]
⏷ Show the Full List of 7 MR(s)
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[4]
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[5]
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]
References
1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 ClinicalTrials.gov (NCT01982955) MSC2156119J With Gefitinib in Subjects With Advanced Non-small Cell Lung Cancer. U.S. National Institutes of Health.
4 Open-label, single-center, phase I trial to investigate the mass balance and absolute bioavailability of the highly selective oral MET inhibitor tepotinib in healthy volunteers
5 Identification of Iminium Intermediates Generation in the Metabolism of Tepotinib Using LC-MS/MS: In Silico and Practical Approaches to Bioactivation Pathway Elucidation

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