A-304121   Click here for help

GtoPdb Ligand ID: 1258

Synonyms: A 304121 | A304121
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 75.87
Molecular weight 359.22
XLogP 1.08
No. Lipinski's rules broken 0
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Canonical SMILES CC(C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N
Isomeric SMILES C[C@H](C(=O)N1CCN(CC1)CCCOc1ccc(cc1)C(=O)C1CC1)N
InChI InChI=1S/C20H29N3O3/c1-15(21)20(25)23-12-10-22(11-13-23)9-2-14-26-18-7-5-17(6-8-18)19(24)16-3-4-16/h5-8,15-16H,2-4,9-14,21H2,1H3/t15-/m1/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
H3 receptor Rn Antagonist Antagonist 8.6 pKi - 1-2
pKi 8.6 [1-2]
H3 receptor Hs Antagonist Antagonist 6.1 pKi - 1-2
pKi 6.1 [1-2]