BMY-7378   Click here for help

GtoPdb Ligand ID: 9

Synonyms: BMY 7378 | BMY7378
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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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
SMILES / InChI / InChIKey
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Canonical SMILES COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2
Isomeric SMILES COc1ccccc1N1CCN(CC1)CCN1C(=O)CC2(CC1=O)CCCC2
InChI InChI=1S/C22H31N3O3/c1-28-19-7-3-2-6-18(19)24-13-10-23(11-14-24)12-15-25-20(26)16-22(17-21(25)27)8-4-5-9-22/h2-3,6-7H,4-5,8-17H2,1H3
InChI Key AYYCFGDXLUPJAQ-UHFFFAOYSA-N
References
1. Carroll WA, Sippy KB, Esbenshade TA, Buckner SA, Hancock AA, Meyer MD. (2001)
Two novel and potent 3-[(o-methoxyphenyl)piperazinylethyl]-5-phenylthien.
Bioorg Med Chem Lett, 11 (9): 1119-21. [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 (9): 653-65. [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 (2): 189-95. [PMID:11459121]