Bioactive Compound Details

BioIDbio3554
NameREFAMETINIB
ChEMBL IDCHEMBL1236682
Molecular FormulaC19H20F3IN2O5S
Molecular Weight572.34
Molecular Weight (Monoisotopic)572.009
TypeSmall molecule
Max PhasePhase 2
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsBAY 869766|BAY 8697661|BAY-86-9766|BAY-869766|BAY-8697661|BAY86-9766|BAY869766|BAY8697661|RDEA 119|RDEA-119|RDEA119|REFAMETINIB|Refametinib
SmilesCOc1cc(F)c(F)c(Nc2ccc(I)cc2F)c1NS(=O)(=O)C1(C[C@H](O)CO)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
Inchi KeyRDSACQWTXKSHJT-NSHDSACASA-N
Molecular SpeciesNEUTRAL
Targets287.0
Bioactivities304.0
Np Likeness Score-0.72
Records Key['COVC-1209206150', 'Refametinib', 'REFAMETINIB', 'Refametinib', 'REFAMETINIB', 'Refametinib', 'refametinib', 'refametinib', 'Refametinib', 'Refametinib', '54; RDEA-119', 'EOS101433']
Records Name['REFAMETINIB', 'Refametinib', 'REFAMETINIB', 'Refametinib', 'REFAMETINIB', 'Refametinib', 'refametinib', 'refametinib', 'Refametinib', 'Refametinib', 'Refametinib', 'refametinib']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure