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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
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2A receptor Rn Antagonist Antagonist 8.5 pKi - 1
pKi 8.5 [1]
5-HT2A receptor Hs Antagonist Antagonist 8.0 pKi - 1
pKi 8.0 [1]
5-HT2B receptor Rn Antagonist Antagonist 8.0 pKi - 2
pKi 8.0 [2]