BW373U86   Click here for help

GtoPdb Ligand ID: 9002

Synonyms: BW 373U86 | BW-373U86 | SNC-86
Compound class: Synthetic organic
Comment: BW373U86 is a potent and selective nonpeptidic δ opioid receptor agonist [1].
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 47.02
Molecular weight 435.29
XLogP 4.51
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES C=CCN1CC(C)N(CC1C)C(c1cccc(c1)O)c1ccc(cc1)C(=O)N(CC)CC
Isomeric SMILES C=CCN1C[C@H](C)N(C[C@H]1C)[C@@H](c1cccc(c1)O)c1ccc(cc1)C(=O)N(CC)CC
InChI InChI=1S/C27H37N3O2/c1-6-16-29-18-21(5)30(19-20(29)4)26(24-10-9-11-25(31)17-24)22-12-14-23(15-13-22)27(32)28(7-2)8-3/h6,9-15,17,20-21,26,31H,1,7-8,16,18-19H2,2-5H3/t20-,21+,26-/m1/s1
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
δ receptor Primary target of this compound Hs Agonist Agonist 9.5 pKi - 2
pKi 9.5 (Ki 3.2x10-10 M) [2]
δ receptor Rn Agonist Agonist 8.7 pKi - 1
pKi 8.7 (Ki 1.8x10-9 M) [1]
μ receptor Rn Agonist Agonist 7.8 pKi - 1
pKi 7.8 (Ki 1.5x10-8 M) [1]
κ receptor Rn Agonist Agonist 7.5 pKi - 1
pKi 7.5 (Ki 3.4x10-8 M) [1]
κ receptor Hs Agonist Agonist 6.9 pKi - 2
pKi 6.9 (Ki 1.3x10-7 M) [2]
μ receptor Hs Agonist Agonist 6.6 pKi - 2
pKi 6.6 (Ki 2.6x10-7 M) [2]