amesergide   Click here for help

GtoPdb Ligand ID: 199

Synonyms: LY-237733 | LY237733
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 4
Topological polar surface area 37.27
Molecular weight 393.28
XLogP 4.4
No. Lipinski's rules broken 0
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Canonical SMILES O=C(C1CN(C)C2C(C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1
Isomeric SMILES O=C([C@H]1CN(C)[C@H]2[C@H](C1)c1cccc3c1c(C2)cn3C(C)C)NC1CCCCC1
InChI InChI=1S/C25H35N3O/c1-16(2)28-15-17-13-23-21(20-10-7-11-22(28)24(17)20)12-18(14-27(23)3)25(29)26-19-8-5-4-6-9-19/h7,10-11,15-16,18-19,21,23H,4-6,8-9,12-14H2,1-3H3,(H,26,29)/t18-,21-,23-/m1/s1
1. 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 Pharmacol, 45 (2): 277-86. [PMID:8114677]
2. Wainscott DB, Cohen ML, Schenck KW, Audia JE, Nissen JS, Baez M, Kursar JD, Lucaites VL, Nelson DL. (1993)
Pharmacological characteristics of the newly cloned rat 5-hydroxytryptamine2F receptor.
Mol Pharmacol, 43 (3): 419-26. [PMID:8450835]