CP-122288   Click here for help

GtoPdb Ligand ID: 110

Synonyms: CP 122288 | CP-122,288 | CP122288
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 5
Topological polar surface area 73.58
Molecular weight 321.15
XLogP 1.42
No. Lipinski's rules broken 0
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Canonical SMILES CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)CC1CCCN1C
Isomeric SMILES CNS(=O)(=O)Cc1ccc2c(c1)c(c[nH]2)C[C@H]1CCCN1C
InChI InChI=1S/C16H23N3O2S/c1-17-22(20,21)11-12-5-6-16-15(8-12)13(10-18-16)9-14-4-3-7-19(14)2/h5-6,8,10,14,17-18H,3-4,7,9,11H2,1-2H3/t14-/m1/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT1D receptor Hs Agonist Full agonist 7.7 pIC50 - 1
pIC50 7.7 [1]
5-HT1B receptor Hs Agonist Full agonist 7.6 pIC50 - 1
pIC50 7.6 [1]