compound 31 [PMID: 22902653]

Ligand id: 8117

Name: compound 31 [PMID: 22902653]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 143.05
Molecular weight 461.16
XLogP 3.08
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Database Links
BindingDB Ligand 50390791
ChEMBL Ligand CHEMBL2070615
PubChem CID 46192505
Search Google for chemical match using the InChIKey WUCYRTXFXRZKSV-UHFFFAOYSA-N
Search Google for chemicals with the same backbone WUCYRTXFXRZKSV
Search UniChem for chemical match using the InChIKey WUCYRTXFXRZKSV-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone WUCYRTXFXRZKSV
Comments
Compound 31 was designed as an inhibitor of the LIM domain kinases LIMK1 and LIMK2 [2].