Ligand id: 1938

Name: I-BOP

Structure and Physico-chemical Properties

2D Structure
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Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 11
Topological polar surface area 75.99
Molecular weight 512.11
XLogP 4.89
No. Lipinski's rules broken 1

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 (2): 217-24. [PMID:9313928]
2. Mayeux PR, Morinelli TA, Williams TC, Hazard ES, Mais DE, Oatis JE, Baron DA, Halushka PV. (1991)
Differential effect of pH on thromboxane A2/prostaglandin H2 receptor agonist and antagonist binding in human platelets.
J. Biol. Chem., 266 (21): 13752-8. [PMID:1830308]