EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:233309 - Adagrasib

ChEBI IDCHEBI:233309
ChEBI NameAdagrasib
Stars
DefinitionAdagrasib (MRTX849) is an oral, small-molecule KRAS inhibitor developed by Mirati Therapeutics. KRAS mutations are highly common in cancer and account for approximately 85% of all RAS family mutations.
Submitterlbonaobra
DownloadsMolfile
FormulaC32H35ClFN7O2
Net Charge0
Average Mass604.130
Monoisotopic Mass603.25248
SMILES[H][C@@]1(COc2nc3c(c(N4CCN(C(=O)C(=C)F)[C@@]([H])(CC#N)C4)n2)CCN(c2cccc4cccc(Cl)c24)C3)CCCN1C
InChIInChI=1S/C32H35ClFN7O2/c1-21(34)31(42)41-17-16-40(18-23(41)11-13-35)30-25-12-15-39(28-10-4-7-22-6-3-9-26(33)29(22)28)19-27(25)36-32(37-30)43-20-24-8-5-14-38(24)2/h3-4,6-7,9-10,23-24H,1,5,8,11-12,14-20H2,2H3/t23-,24-/m0/s1
InChIKeyPEMUGDMSUDYLHU-ZEQRLZLVSA-N
ChEBI Ontology
Outgoing Relation(s)
Adagrasib (CHEBI:233309) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
2-[(2S)-4-[7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrileSUBMITTER
2326521-71-3SUBMITTER
MRTX849SUBMITTER
Registry NumbersSources
CAS:2326521-71-3SUBMITTER