EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:231602 - refametinib

Default Structure
ChEBI IDCHEBI:231602
ChEBI Namerefametinib
Stars
DefinitionRefametinib is an orally bioavailable selective MEK inhibitor with potential antineoplastic activity. Refametinib specifically inhibits mitogen-activated protein kinase kinase 1 (MAP2K1 or MAPK/ERK kinase 1), resulting in inhibition of growth factor-mediated cell signaling and tumor cell proliferation.
Last Modified19 August 2024
Submitterruixy
DownloadsMolfile
FormulaC19H20F3IN2O5S
Net Charge0
Average Mass572.343
Monoisotopic Mass572.00898
SMILES[H][C@@](O)(CO)CC1(S(=O)(=O)Nc2c(OC)cc(F)c(F)c2Nc2ccc(I)cc2F)CC1
InChIInChI=1S/C19H20F3IN2O5S/c1-30-15-7-13(21)16(22)18(24-14-3-2-10(23)6-12(14)20)17(15)25-31(28,29)19(4-5-19)8-11(27)9-26/h2-3,6-7,11,24-27H,4-5,8-9H2,1H3/t11-/m0/s1
InChIKeyRDSACQWTXKSHJT-NSHDSACASA-N
ChEBI Ontology
Outgoing Relation(s)
refametinib (CHEBI:231602) is a organic molecular entity (CHEBI:50860)
Synonyms  Source
BAY 869766SUBMITTER
BAY-869766SUBMITTER
BAY-8697661SUBMITTER
N-[3,4-difluoro-2-(2-fluoro-4-iodoanilino)-6-methoxyphenyl]-1-[(2S)-2,3-dihydroxypropyl]cyclopropane-1-sulfonamideSUBMITTER
RDEA 119SUBMITTER
RDEA119SUBMITTER
Manual XrefsDatabases
DB06309DrugBank
HMDB0257134HMDB
Registry NumbersSources
CAS:923032-37-5SUBMITTER