K185   Click here for help

GtoPdb Ligand ID: 1359

Synonyms: K 185 | K-185
Compound class: Synthetic organic
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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 7
Topological polar surface area 43.26
Molecular weight 376.22
XLogP 5.91
No. Lipinski's rules broken 1
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Canonical SMILES CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2
Isomeric SMILES CCCC(=O)NCCc1c2c3ccccc3CCCn2c2c1cc(OC)cc2
InChI InChI=1S/C24H28N2O2/c1-3-7-23(27)25-14-13-20-21-16-18(28-2)11-12-22(21)26-15-6-9-17-8-4-5-10-19(17)24(20)26/h4-5,8,10-12,16H,3,6-7,9,13-15H2,1-2H3,(H,25,27)
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
MT2 receptor Hs Antagonist Antagonist 9.3 pKi - 1-2
pKi 9.3 (Ki 5.1x10-10 M) [1-2]
MT1 receptor Hs Antagonist Antagonist 7.2 pKi - 1
pKi 7.2 [1]