Bioactive Compound Details

BioIDbio1864
NameENCORAFENIB
ChEMBL IDCHEMBL3301612
Molecular FormulaC22H27ClFN7O4S
Molecular Weight540.02
Molecular Weight (Monoisotopic)539.1518
TypeSmall molecule
Max PhasePhase 4
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBraftovi|ENCORAFENIB|Encorafenib|LGX-818|LGX818|NVP-LGX-818-NXA|NVP-LGX818|NVP-LGX818-NXA
SmilesCOC(=O)N[C@@H](C)CNc1nccc(-c2cn(C(C)C)nc2-c2cc(Cl)cc(NS(C)(=O)=O)c2F)n1
InchiInChI=1S/C22H27ClFN7O4S/c1-12(2)31-11-16(17-6-7-25-21(28-17)26-10-13(3)27-22(32)35-4)20(29-31)15-8-14(23)9-18(19(15)24)30-36(5,33)34/h6-9,11-13,30H,10H2,1-5H3,(H,27,32)(H,25,26,28)/t13-/m0/s1
Inchi KeyCMJCXYNUCSMDBY-ZDUSSCGKSA-N
Molecular SpeciesNEUTRAL
Targets369.0
Bioactivities401.0
Np Likeness Score-1.5
Records Key['ENCORAFENIB', 'ENCORAFENIB', 'BDBM221688', 'ENCORAFENIB', 'ENCORAFENIB', 'ENCORAFENIB', 'LGX818', 'LGX818', 'Encorafenib', 'ENCORAFENIB', 'LGX818', '23', 'ENCORAFENIB', '9', 'LGX818', 'ENCORAFENIB', 'Encorafenib (LGX818)', 'EOS100618', 'encorafenib']
Records Name['ENCORAFENIB', 'ENCORAFENIB', 'US9314464, 9', 'ENCORAFENIB', 'ENCORAFENIB', 'ENCORAFENIB', 'Encorafenib', 'Encorafenib', 'Encorafenib', 'ENCORAFENIB', 'LGX818', 'Encorafenib', 'ENCORAFENIB', 'Methyl N-[(2S)-1-({4-[3-(5-chloro-2-fluoro-3-methanesulfonamidophenyl)-1-(propan-2-yl)-1H-pyrazol-4-yl]pyrimidin-2-yl}amino)propan-2-yl]carbamate', 'Encorafenib', 'ENCORAFENIB', 'Encorafenib (LGX818)', 'ENCORAFENIB', 'encorafenib']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure