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
Database Links
CAS Registry No. 592542-59-1
ChEMBL Ligand CHEMBL1241855
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
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Search UniChem for chemical match using the InChIKey OWBFCJROIKNMGD-BQYQJAHWSA-N
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Wikipedia Rigosertib
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.