rigosertib

Ligand id: 7833

Name: rigosertib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 128.77
Molecular weight 451.13
XLogP 2.05
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
2-[[2-methoxy-5-[[(E)-2-(2,4,6-trimethoxyphenyl)ethenyl]sulfonylmethyl]phenyl]amino]acetic acid
International Nonproprietary Names
INN number INN
9516 rigosertib
Synonyms
Estybon® (proposed trade name) | ON-01910 | ON01910.Na
Comments
Rigosertib is a dual kinase inhibitor, affecting the phosphoinositide 3-kinase (PI3K) and polo-like kinase 1 (PLK1) pathways. Note that the inhibitory action on PLK1 has been disputed [2]. It is a non-ATP-competitive inhibitor, meaning it inhibits substrate binding to the enzyme.
Note that some bioactivity data may be associated with the sodium salt, PubChem CID 23696523.
Database Links
CAS Registry No. 592542-59-1
ChEMBL Ligand CHEMBL1241855
GtoPdb PubChem SID 223366164
PubChem CID 6918736
RCSB PDB Ligand 6FS
Search Google for chemical match using the InChIKey OWBFCJROIKNMGD-BQYQJAHWSA-N
Search Google for chemicals with the same backbone OWBFCJROIKNMGD
Search PubMed clinical trials rigosertib
Search PubMed titles rigosertib
Search PubMed titles/abstracts rigosertib
Search UniChem for chemical match using the InChIKey OWBFCJROIKNMGD-BQYQJAHWSA-N
Search UniChem for chemicals with the same backbone OWBFCJROIKNMGD
Wikipedia Rigosertib