SB 215505   Click here for help

GtoPdb Ligand ID: 190

Synonyms: SB-215,505 | SB-215505
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Topological polar surface area 45.23
Molecular weight 337.1
XLogP 3.42
No. Lipinski's rules broken 0
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Canonical SMILES O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2
Isomeric SMILES O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1cccc2c1cccn2
InChI InChI=1S/C19H16ClN3O/c1-12-10-13-7-9-23(18(13)11-15(12)20)19(24)22-17-6-2-5-16-14(17)4-3-8-21-16/h2-6,8,10-11H,7,9H2,1H3,(H,22,24)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2B receptor Hs Antagonist Antagonist 8.3 pKi - 1
pKi 8.3 [1]
5-HT2C receptor Hs Antagonist Antagonist 7.7 pKi - 1
pKi 7.7 [1]
5-HT2A receptor Hs Antagonist Antagonist 6.8 pKi - 1
pKi 6.8 [1]