P6949

Ligand id: 8877

Name: P6949

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 94.83
Molecular weight 319.96
XLogP 1.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
3-(3-stibonophenyl)propanoic acid
Database Links
ChEMBL Ligand CHEMBL2057662
PubChem CID 24204784
Search Google for chemical match using the InChIKey VXMRXQJADBGVFN-UHFFFAOYSA-L
Search Google for chemicals with the same backbone VXMRXQJADBGVFN
Search UniChem for chemical match using the InChIKey VXMRXQJADBGVFN-UHFFFAOYSA-L
Search UniChem for chemicals with the same backbone VXMRXQJADBGVFN
Comments
P6949 is a arylstibonate compound designed to inhibit Cdc25a (CDC25A; P30304) and Cdc25b (CDC25B; P30305) phosphatase activity [1]. It also inhibits protein tyrosine phosphatase PTP-β (PTPRB, P23467) by ≥90%.