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
Comments
Compound 31 was designed as an inhibitor of the LIM domain kinases LIMK1 and LIMK2 [2].
Database Links
BindingDB Ligand 50390791
ChEMBL Ligand CHEMBL2070615
GtoPdb PubChem SID 249565797
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