TL-77

Ligand id: 7834

Name: TL-77

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 146.88
Molecular weight 472.1
XLogP 1.37
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
N-(2-methoxy-5-{[(E)-2-(2,4,6-trimethoxyphenyl)ethenesulfonyl]methyl}pyridin-3-yl)methanesulfonamide
Database Links
ChEMBL Ligand CHEMBL3261266
PubChem CID 54759259
Search Google for chemical match using the InChIKey HEBBDGMHRHUJRY-VOTSOKGWSA-N
Search Google for chemicals with the same backbone HEBBDGMHRHUJRY
Search UniChem for chemical match using the InChIKey HEBBDGMHRHUJRY-VOTSOKGWSA-N
Search UniChem for chemicals with the same backbone HEBBDGMHRHUJRY
Comments
The discovery of the TL-77, is described in [2] (and also as compound 9a in [1]). This compound is reported to have improved oral bioavailability compared to rigosertib, and represents a lead anti-mitotic, anti-cancer agent with potential for further development.