3E8

3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile


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Chemical Component Summary

Name3-[1-(3-{5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl}benzyl)-6-oxo-1,6-dihydropyridazin-3-yl]benzonitrile
Identifiers3-[1-[[3-[5-[(1-methylpiperidin-4-yl)methoxy]pyrimidin-2-yl]phenyl]methyl]-6-oxidanylidene-pyridazin-3-yl]benzenecarbonitrile
FormulaC29 H28 N6 O2
Molecular Weight492.572
TypeNON-POLYMER
Isomeric SMILESCN1CCC(CC1)COc2cnc(nc2)c3cccc(c3)CN4C(=O)C=CC(=N4)c5cccc(c5)C#N
InChIInChI=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
InChIKeyAHYMHWXQRWRBKT-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count65
Chiral Atom Count0
Bond Count69
Aromatic Bond Count18

Drug Info: DrugBank

DrugBank IDDB15133 
NameTepotinib
Groups
  • investigational
  • approved
DescriptionTepotinib is a MET tyrosine kinase inhibitor intended to treat a variety of MET-overexpressing solid tumors.[A228058] It was originally developed in partnership between EMD Serono and the University of Texas M.D. Anderson Cancer Center in 2009 and has since been investigated in the treatment of neuroblastoma,[A228053] gastric cancers,[A228033] non-small cell lung cancer, and hepatocellular carcinoma.[A228058] MET is a desirable target in the treatment of certain solid tumors as it appears to play a critical role, both directly and indirectly, in the growth and proliferation of tumors in which it is overexpressed and/or mutated. Tepotinib was first approved in Japan in March 2020 for the treatment of non-small cell lung cancers (NSCLC) with _MET_ alterations, and was subsequently granted accelerated approval by the US FDA in February 2021, under the brand name Tepmetko, for the treatment of adult patients with metastatic NSCLC and _MET_ exon 14 skipping alterations.[L31443,L31473] It is the first oral MET-targeted tyrosine kinase inhibitor to allow for once-daily dosing,[L31473] an advantage that may aid in easing the pill burden often associated with chemotherapeutic regimens. In February 2022, tepotinib was approved for use in Europe.[L42200]
Synonyms
  • Tepotinib
  • Tepotinib hydrochloride
Brand NamesTepmetko
IndicationTepotinib is indicated for the treatment of adult patients with metastatic non-small cell lung cancer (NSCLC) who have mesenchymal-epithelial transition (_MET_) exon 14 skipping alterations.[L31443,L45673]
Categories
  • Antineoplastic Agents
  • Antineoplastic and Immunomodulating Agents
  • BCRP/ABCG2 Inhibitors
  • BSEP/ABCB11 Inhibitors
  • Cytochrome P-450 CYP2C8 Substrates
ATC-CodeL01EX21
CAS number1100598-32-0

Drug Targets

NameTarget SequencePharmacological ActionActions
Hepatocyte growth factor receptorMKAPAVLAPGILVLLFTLVQRSNGECKEALAKSEMNVNMKYQLPNFTAET...unknowninhibitor
NischarinMATARTFGPEREAEPAKEARVVGSELVDTYTVYIIQVTDGSHEWTVKHRY...unknowninhibitor
Melatonin receptor type 1BMSENGSFANCCEAGGWAVRPGWSGAGSARPSRTPRPPWVAPALSAVLIVT...unknowninhibitor
Cytochrome P450 3A4MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...unknownsubstrate,inhibitor
Cytochrome P450 2C8MEPFVVLVLCLSFMLLFSLWRQSCRRRKLPPGPTPLPIIGNMLQIDVKDI...unknownsubstrate
View More
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
Pharos CHEMBL3402762
PubChem 25171648
ChEMBL CHEMBL3402762