glemanserin   Click here for help

GtoPdb Ligand ID: 186

Synonyms: Mdl 11939 | MDL-11,939 | MDL-11939
Compound class: Synthetic organic
Comment: The INN-assigned compound glemanserin is a racemic mixture of two enantiomers. The structure shown here does not specify stereochemistry and represents the mixture.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 23.47
Molecular weight 295.19
XLogP 3.77
No. Lipinski's rules broken 0
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Canonical SMILES OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1
Isomeric SMILES OC(c1ccccc1)C1CCN(CC1)CCc1ccccc1
InChI InChI=1S/C20H25NO/c22-20(18-9-5-2-6-10-18)19-12-15-21(16-13-19)14-11-17-7-3-1-4-8-17/h1-10,19-20,22H,11-16H2
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2A receptor Hs Antagonist Antagonist 7.6 pKi - 1
pKi 7.6 [1]
5-HT2C receptor Hs Antagonist Antagonist 6.6 pKi - 1
pKi 6.6 [1]
5-HT2B receptor Hs Antagonist Antagonist 5.5 pKi - 1
pKi 5.5 [1]