Bioactive Compound Details

BioIDbio1483
NameTOVORAFENIB
ChEMBL IDCHEMBL3348923
Molecular FormulaC17H12Cl2F3N7O2S
Molecular Weight506.3
Molecular Weight (Monoisotopic)505.0102
TypeSmall molecule
Max PhasePhase 3
Target IDTar11
Target NameProto-oncogene c-RAF (c-RAF)
SynonymsBIIB-024|BIIB024|DAY-101|DAY101|MLN-2480|TAK 580|TAK-580|TOVORAFENIB
SmilesC[C@@H](NC(=O)c1ncnc(N)c1Cl)c1ncc(C(=O)Nc2cc(C(F)(F)F)c(Cl)cn2)s1
InchiInChI=1S/C17H12Cl2F3N7O2S/c1-6(28-15(31)12-11(19)13(23)27-5-26-12)16-25-4-9(32-16)14(30)29-10-2-7(17(20,21)22)8(18)3-24-10/h2-6H,1H3,(H,28,31)(H2,23,26,27)(H,24,29,30)/t6-/m1/s1
Inchi KeyVWMJHAFYPMOMGF-ZCFIWIBFSA-N
Molecular SpeciesNEUTRAL
Targets297.0
Bioactivities306.0
Np Likeness Score-1.44
Records Key['MLN-2480', 'TAK-580', 'TAK-580', 'SID174006384', 'TOVORAFENIB', 'TAK-580', 'TAK-580', 'TOVORAFENIB']
Records Name['MLN-2480', 'TAK-580', 'TAK-580', 'SID174006384', 'TOVORAFENIB', 'TAK-580', 'TAK-580', 'TOVORAFENIB']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure