EG-1-230   Click here for help

GtoPdb Ligand ID: 12733

Synonyms: compound 13 [PMID: 33479684]
Compound class: Synthetic organic
Comment: EG-1-230 is a high affinity, low potency μ opioid receptor (MOR) agonist [1,3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Topological polar surface area 43.7
Molecular weight 377.52
XLogP 3.31
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C1=CC=C(C=C1)CCN2CC[C@@]3(CCC[C@H]2[C@@H]3/C=C/CO)C4=CC=CC(=C4)O
Isomeric SMILES OC/C=C/[C@H]1[C@H]2N(CC[C@@]1(CCC2)C=3C=C(C=CC3)O)CCC4=CC=CC=C4
InChI InChI=1S/C25H31NO2/c27-18-6-11-23-24-12-5-14-25(23,21-9-4-10-22(28)19-21)15-17-26(24)16-13-20-7-2-1-3-8-20/h1-4,6-11,19,23-24,27-28H,5,12-18H2/b11-6+/t23-,24-,25-/m0/s1
InChI Key FTDOOEOFAZGQEK-ZADLEFMZSA-N
Selectivity at GPCRs
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
μ receptor Hs Agonist Agonist 9.2 pKi - 2
pKi 9.2 (Ki 6x10-10 M) [2]
Description: Displacement of [125I]Ioxycodone from human mu opioid receptor