SR16835   Click here for help

GtoPdb Ligand ID: 8867

Synonyms: AT-202
Compound class: Synthetic organic
Comment: SR16835 is an experimental NOP receptor agonist, with low-affinity bifunctional activity at the μ opioid receptor.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 2
Topological polar surface area 23.55
Molecular weight 386.24
XLogP 4.97
No. Lipinski's rules broken 0
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Canonical SMILES O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2
Isomeric SMILES O=C1Cc2c(N1C1CCN(CC1)C1CCC3c4c1cccc4CCC3)cccc2
InChI InChI=1S/C26H30N2O/c29-25-17-20-5-1-2-10-23(20)28(25)21-13-15-27(16-14-21)24-12-11-19-7-3-6-18-8-4-9-22(24)26(18)19/h1-2,4-5,8-10,19,21,24H,3,6-7,11-17H2
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
NOP receptor Hs Agonist Agonist 7.9 pKi - 1
pKi 7.9 (Ki 1.14x10-8 M) [1]
Description: Radioligand binding assay
μ receptor Hs Agonist Agonist 7.1 pKi - 1
pKi 7.1 (Ki 7.99x10-8 M) [1]
Description: Radioligand binding assay
κ receptor Hs Agonist Agonist 6.2 pKi - 1
pKi 6.2 (Ki 6.813x10-7 M) [1]
Description: Radioligand binding assay
NOP receptor Hs Agonist Agonist 7.3 pEC50 - 1
pEC50 7.3 (EC50 4.61x10-8 M) [1]
Description: Stimulation of GTP-γ35S binding