(R)-Ro65-6570   Click here for help

GtoPdb Ligand ID: 8864

Synonyms: (R)-Ro 65-6570
Compound class: Synthetic organic
Comment: NOP receptor agonist.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 2
Topological polar surface area 35.58
Molecular weight 383.2
XLogP 4.52
No. Lipinski's rules broken 0
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Canonical SMILES O=C1NCN(C21CCN(CC2)C1Cc2c3c1cccc3ccc2)c1ccccc1
Isomeric SMILES O=C1NCN(C21CCN(CC2)[C@@H]1Cc2c3c1cccc3ccc2)c1ccccc1
InChI InChI=1S/C25H25N3O/c29-24-25(28(17-26-24)20-9-2-1-3-10-20)12-14-27(15-13-25)22-16-19-8-4-6-18-7-5-11-21(22)23(18)19/h1-11,22H,12-17H2,(H,26,29)/t22-/m1/s1
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
NOP receptor Hs Agonist Agonist 9.6 pKi - 1
pKi 9.6 [1]
NOP receptor Hs Agonist Agonist 7.4 pEC50 - 1
pEC50 7.4 [1]
Description: Stimulation of GTP-γ35S binding