Ligand id: 9430

Name: BMS-681

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 61.36
Molecular weight 491.29
XLogP 6.32
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

Immunopharmacology Comments
CCR2 and its ligands are implicated in numerous inflammatory and neurodegenerative diseases [2]. Drug discovery efforts are targeting the CCR2-chemokine axis for conditions including atherosclerosis, multiple sclerosis, asthma, neuropathic pain, diabetic nephropathy and cancer.