ergometrine

Ligand id: 148

Name: ergometrine

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 4
Topological polar surface area 68.36
Molecular weight 325.18
XLogP 0.87
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

References
1. Bai F, Yin T, Johnstone EM, Su C, Varga G, Little SP, Nelson DL. (2004)
Molecular cloning and pharmacological characterization of the guinea pig 5-HT1E receptor.
Eur J Pharmacol484: 127-139. [PMID:14744596]
2. Johnson MP, Loncharich RJ, Baez M, Nelson DL. (1994)
Species variations in transmembrane region V of the 5-hydroxytryptamine type 2A receptor alter the structure-activity relationship of certain ergolines and tryptamines.
Mol Pharmacol45: 277-286. [PMID:8114677]