Ligand id: 9

Name: BMY-7378

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 5
Topological polar surface area 53.09
Molecular weight 385.24
XLogP 3.14
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

1. Carroll WA, Sippy KB, Esbenshade TA, Buckner SA, Hancock AA, Meyer MD. (2001)
Two novel and potent 3-[(o-methoxyphenyl)piperazinylethyl]-5-phenylthien.
Bioorganic & Medicinal Chemistry Letters, 11: 1119-1121. [PMID:11354357]
2. Khawaja X, Ennis C, Minchin MC. (1997)
Pharmacological characterization of recombinant human 5-hydroxytryptamine1A receptors using a novel antagonist radioligand, [3H]WAY-100635.
Life Sci, 60: 653-665. [PMID:9048968]
3. Yoshio R, Taniguchi T, Itoh H, Muramatsu I. (2001)
Affinity of serotonin receptor antagonists and agonists to recombinant and native alpha1-adrenoceptor subtypes.
Jpn J Pharmacol, 86: 189-195. [PMID:11459121]