Bioactive Compound Details

BioIDbio3521
NameDARIZMETINIB
ChEMBL IDCHEMBL4795907
Molecular FormulaC21H17F2N5O3S
Molecular Weight457.46
Molecular Weight (Monoisotopic)457.102
TypeSmall molecule
Max PhasePhase 2
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsDARIZMETINIB
SmilesCCCS(=O)(=O)Nc1c(F)ccc(C(=O)c2n[nH]c3ncc(-c4ccncc4)cc23)c1F
InchiInChI=1S/C21H17F2N5O3S/c1-2-9-32(30,31)28-19-16(22)4-3-14(17(19)23)20(29)18-15-10-13(11-25-21(15)27-26-18)12-5-7-24-8-6-12/h3-8,10-11,28H,2,9H2,1H3,(H,25,26,27)
Inchi KeyWBNMARNYIFMNEP-UHFFFAOYSA-N
Molecular SpeciesNEUTRAL
Targets2.0
Bioactivities7.0
Np Likeness Score-1.54
Records Key['Exp 63', 'DARIZMETINIB']
Records Name['N-(2,6-difluoro-3-(5-(pyridin-4-yl)-1H-pyrazolo[3,4-b]pyridine-3-carbonyl)phenyl)propane-1-sulfonamide', 'DARIZMETINIB']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure