Bioactive Compound Details

BioIDbio3389
NameMIRANSERTIB MESYLATE
ChEMBL IDCHEMBL4298151
Molecular FormulaC29H32N6O6S2
Molecular Weight624.75
Molecular Weight (Monoisotopic)432.2062
TypeSmall molecule
Max PhasePhase 1
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsARQ 092 mesylate|MIRANSERTIB DIMESYLATE|MIRANSERTIB MESYLATE
SmilesCS(=O)(=O)O.CS(=O)(=O)O.Nc1ncccc1-c1nc2ccc(-c3ccccc3)nc2n1-c1ccc(C2(N)CCC2)cc1
InchiInChI=1S/C27H24N6.2CH4O3S/c28-24-21(8-4-17-30-24)25-32-23-14-13-22(18-6-2-1-3-7-18)31-26(23)33(25)20-11-9-19(10-12-20)27(29)15-5-16-27;2*1-5(2,3)4/h1-4,6-14,17H,5,15-16,29H2,(H2,28,30);2*1H3,(H,2,3,4)
Inchi KeyLNSQWHNDOWEZII-UHFFFAOYSA-N
Molecular SpeciesBASE
TargetsNone
BioactivitiesNone
Np Likeness Score-0.81
Records Key['MIRANSERTIB MESYLATE']
Records Name['MIRANSERTIB MESYLATE']
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure