EGIS-7625   Click here for help

GtoPdb Ligand ID: 176

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 75.64
Molecular weight 326.17
XLogP 3
No. Lipinski's rules broken 0
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Canonical SMILES Nc1cc(N2CCN(CC2)Cc2ccccc2)c(cc1C)[N+](=O)[O-]
Isomeric SMILES Nc1cc(N2CCN(CC2)Cc2ccccc2)c(cc1C)[N+](=O)[O-]
InChI InChI=1S/C18H22N4O2/c1-14-11-18(22(23)24)17(12-16(14)19)21-9-7-20(8-10-21)13-15-5-3-2-4-6-15/h2-6,11-12H,7-10,13,19H2,1H3
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2B receptor Hs Antagonist Antagonist 9.0 pKi - 1
pKi 9.0 (Ki 1x10-9 M) [1]
5-HT2C receptor Hs Antagonist Antagonist 7.7 pKi - 1
pKi 7.7 [1]
5-HT2A receptor Rn Antagonist Antagonist 6.5 pKi - 1
pKi 6.5 [1]
5-HT2A receptor Hs Antagonist Antagonist 6.2 pKi - 1
pKi 6.2 [1]