ecopipam   Click here for help

GtoPdb Ligand ID: 3304

Synonyms: SCH 39166 | SCH-39166 | SCH39166
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 23.47
Molecular weight 313.12
XLogP 3.72
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCc2c(C3C1CCc1c3cccc1)cc(c(c2)Cl)O
Isomeric SMILES CN1CCc2c([C@@H]3[C@@H]1CCc1c3cccc1)cc(c(c2)Cl)O
InChI InChI=1S/C19H20ClNO/c1-21-9-8-13-10-16(20)18(22)11-15(13)19-14-5-3-2-4-12(14)6-7-17(19)21/h2-5,10-11,17,19,22H,6-9H2,1H3/t17-,19+/m0/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
D1 receptor Hs Antagonist Antagonist 8.3 pKi - 2
pKi 8.3 (Ki 5x10-9 M) [2]
D5 receptor Hs Antagonist Antagonist 8.3 pKi - 1
pKi 8.3 [1]