Ligand id: 3380

Name: BGC201531

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 112.2
Molecular weight 496.17
XLogP 4.55
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Maubach KA, Davis RJ, Clark DE, Fenton G, Lockey PM, Clark KL, Oxford AW, Hagan RM, Routledge C, Coleman RA. (2009)
BGC20-1531, a novel, potent and selective prostanoid EP receptor antagonist: a putative new treatment for migraine headache.
Br. J. Pharmacol., 156 (2): 316-27. [PMID:19154437]