compound 36 [PMID: 21958547]

Ligand id: 9391

Name: compound 36 [PMID: 21958547]

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 7
Topological polar surface area 65.76
Molecular weight 438.25
XLogP 3.42
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Immunopharmacology Comments
Compound 36 is BTK inhibitor [1] that is being evaluated for potential to treat rheumatoid arthritis, having been assessed as effective in preclinical models of the disease.