compound 4 [PMID: 24432870]

Ligand id: 8941

Name: compound 4 [PMID: 24432870]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 122.97
Molecular weight 324.13
XLogP 0.94
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
IUPAC Name
4-[3-(4-amino-1,3,5-triazin-2-yl)-2-methylbenzimidazol-5-yl]-2-methylbut-3-yne-1,2-diol
Database Links
BindingDB Ligand 50448783
ChEMBL Ligand CHEMBL3128046
GtoPdb PubChem SID 310264722
PubChem CID 68181876
Search Google for chemical match using the InChIKey XFZMSTKVAOPBGR-UHFFFAOYSA-N
Search Google for chemicals with the same backbone XFZMSTKVAOPBGR
Search UniChem for chemical match using the InChIKey XFZMSTKVAOPBGR-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone XFZMSTKVAOPBGR
Comments
Compound 4 [PMID: 24432870] is an inhibitor of group 2 p21 protein (Cdc42/Rac)-activated kinases (PAK4, PAK6 and PAK7) [2].