AH 11110   Click here for help

GtoPdb Ligand ID: 8461

Synonyms: AH-11110 | AH11110
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 2
Rotatable bonds 7
Topological polar surface area 56.55
Molecular weight 374.18
XLogP 5.26
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
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Canonical SMILES OC(CC(=N)N1CCCCC1)COc1ccccc1c1ccccc1.Cl
Isomeric SMILES OC(CC(=N)N1CCCCC1)COc1ccccc1c1ccccc1.Cl
InChI InChI=1S/C21H26N2O2.ClH/c22-21(23-13-7-2-8-14-23)15-18(24)16-25-20-12-6-5-11-19(20)17-9-3-1-4-10-17;/h1,3-6,9-12,18,22,24H,2,7-8,13-16H2;1H
InChI Key WWHGFIXWBLHHQB-UHFFFAOYSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
α1B-adrenoceptor Hs Antagonist Antagonist 7.5 pKi - 1
pKi 7.5 [1]