Bioactive Compound Details

BioIDbio3419
NameRIGOSERTIB
ChEMBL IDCHEMBL1241855
Molecular FormulaC21H25NO8S
Molecular Weight451.5
Molecular Weight (Monoisotopic)451.1301
TypeSmall molecule
Max PhasePhase 3
Target IDTar18
Target NameSerine/threonine-protein kinase cot (COT)
SynonymsON 01910|ON01910|RIGOSERTIB
SmilesCOc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c(NCC(=O)O)c2)c(OC)c1
InchiInChI=1S/C21H25NO8S/c1-27-15-10-19(29-3)16(20(11-15)30-4)7-8-31(25,26)13-14-5-6-18(28-2)17(9-14)22-12-21(23)24/h5-11,22H,12-13H2,1-4H3,(H,23,24)/b8-7+
Inchi KeyOWBFCJROIKNMGD-BQYQJAHWSA-N
Molecular SpeciesACID
Targets305.0
Bioactivities373.0
Np Likeness Score-0.24
Records Key['ON01910', 'RIGOSERTIB', '27a', 'ON01910', 'ON01910', 'COVC-1746721850', 'Rigosertib', '3j', 'RIGOSERTIB']
Records Name['2-(2-methoxy-5-((2,4,6-trimethoxystyrylsulfonyl)methyl)phenylamino)acetic acid', 'RIGOSERTIB', (E)-2-(2-Methoxy-5-((2',4',6'-trimethoxystyrylsulfonyl)-methyl)phenylamino)acetic Acid", '(E)-2-(2-methoxy-5-((2,4,6-trimethoxystyrylsulfonyl)methyl)phenylamino)acetic acid', '(E)-2-(2-methoxy-5-((2,4,6-trimethoxystyrylsulfonyl)methyl)phenylamino)acetic acid', 'RIGOSERTIB', 'Rigosertib', '(E)-2-(2-methoxy-5-((2,4,6-trimethoxystyrylsulfonyl)methyl)phenylamino)acetic acid', 'RIGOSERTIB']"
Withdrawn FlagFalse
Orphan0

Molecular Structure

2D Molecular Structure