Ligand id: 9498

Name: BMS-986020

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 9
Topological polar surface area 101.66
Molecular weight 482.18
XLogP 9.24
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

1. Hutchinson JH, Seiders TJ, Zhao L, Wang B, Arruda JM, Roppe JR, Parr T, Stock NS. (2010)
Polycyclic antagonists of lysophosphatidic acid receptors.
Patent number: WO2010141768. Assignee: Amira Pharmaceuticals, Inc.. Priority date: 03/06/2009. Publication date: 09/12/2010.
2. Kihara Y, Mizuno H, Chun J. (2015)
Lysophospholipid receptors in drug discovery.
Exp. Cell Res., 333 (2): 171-7. [PMID:25499971]