Ligand id: 1979

Name: domitroban

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 91.85
Molecular weight 377.17
XLogP 4.53
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Kiriyama M, Ushikubi F, Kobayashi T, Hirata M, Sugimoto Y, Narumiya S. (1997)
Ligand binding specificities of the eight types and subtypes of the mouse prostanoid receptors expressed in Chinese hamster ovary cells.
Br. J. Pharmacol., 122: 217-224. [PMID:9313928]
2. Kishino J, Hanasaki K, Nagasaki T, Arita H. (1991)
Kinetic studies on stereospecific recognition by the thromboxane A2/prostaglandin H2 receptor of the antagonist, S-145.
Br. J. Pharmacol., 103: 1883-1888. [PMID:1833018]