Bioactive Compound Details

BioIDbio1901
NameDABRAFENIB
ChEMBL IDCHEMBL2028663
Molecular FormulaC23H20F3N5O2S2
Molecular Weight519.57
Molecular Weight (Monoisotopic)519.1011
TypeSmall molecule
Max PhasePhase 4
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsDABRAFENIB|GSK-2118436|GSK-2118436A|GSK2118436|GSK2118436A|TAFINLAR
SmilesCC(C)(C)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1
InchiInChI=1S/C23H20F3N5O2S2/c1-23(2,3)21-30-18(19(34-21)16-10-11-28-22(27)29-16)12-6-4-9-15(17(12)26)31-35(32,33)20-13(24)7-5-8-14(20)25/h4-11,31H,1-3H3,(H2,27,28,29)
Inchi KeyBFSMGDJOXZAERB-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets334.0
Bioactivities420.0
Np Likeness Score-1.24
Records Key['12, GSK2118436, Dabrafenib', '2', '3', '7, GSK2118436', 'SID174006404', 'Tafinlar', 'Dabrafenib (GSK2118436)', '13', 'DABRAFENIB', 'DABRAFENIB', 'DABRAFENIB (GSK2118436)', 'Dabrafenib', '6', '58', 'COVC-2281802322', 'Dabrafenib', 'DABRAFENIB', 'DABRAFENIB', '1', 'D12', 'DABRAFENIB', 'DABRAFENIB', 'Dabrafenib', 'Dabrafenib (GSK2118436)', '1', 'II', 'GSK2118436', 'Dabrafenib', 'Dabrafenib (GSK2118436)', 'DB', '10', 'Dabrafenib', 'EOS100662', 'Dabrafenib']
Records Name['N-(3-(5-(2-aminopyrimidin-4-yl)-2-tert-butylthiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide', 'dabrafenib', 'Dabrafenib', 'Dabrafenib', 'SID174006404', 'Dabrafenib', 'Dabrafenib (GSK2118436)', 'Dabrafenib', 'DABRAFENIB', 'DABRAFENIB', 'DABRAFENIB (GSK2118436)', 'Dabrafenib', 'Dabrafenib; Tafinlar', 'Dabrafenib', 'DABRAFENIB', 'Dabrafenib', 'DABRAFENIB', 'DABRAFENIB', 'Dabrafenib', 'N-(3-(5-(2-aminopyrimidin-4-yl)-2-tert-butylthiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamide', 'DABRAFENIB', 'DABRAFENIB', 'Dabrafenib', 'Dabrafenib (GSK2118436)', 'Dabrafenib', 'Dabrafenib', 'Dabrafenib', 'Dabrafenib', 'Dabrafenib (GSK2118436)', 'Dabrafenib', 'Dabrafenib', 'Dabrafenib', 'DABRAFENIB', 'Dabrafenib']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure