compound 12 [PMID: 27448772]

Ligand id: 9453

Name: compound 12 [PMID: 27448772]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 7
Topological polar surface area 119.22
Molecular weight 455.16
XLogP 1.29
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Immunopharmacology Comments
TAK1 is a drug target being explored for therapeutic potential in inflammatory disorders and oncology.