GR 63799   

GtoPdb Ligand ID: 1937

Synonyms: GR-63799 | GR-63799X | GR63799
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 17
Topological polar surface area 131.39
Molecular weight 587.25
XLogP 4.04
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES OC(COC1C(O)CC(=O)C1CC=CCCCC(=O)Oc1ccc(cc1)NC(=O)c1ccccc1)COc1ccccc1
Isomeric SMILES O[C@H](CO[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)Oc1ccc(cc1)NC(=O)c1ccccc1)COc1ccccc1
InChI InChI=1S/C34H37NO8/c36-26(22-41-27-13-7-4-8-14-27)23-42-33-29(30(37)21-31(33)38)15-9-1-2-10-16-32(39)43-28-19-17-25(18-20-28)35-34(40)24-11-5-3-6-12-24/h1,3-9,11-14,17-20,26,29,31,33,36,38H,2,10,15-16,21-23H2,(H,35,40)/b9-1-/t26-,29-,31+,33+/m0/s1
InChI Key KVSPDLWJCJFYEZ-CZQLRZFZSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
EP3 receptor Mm Agonist Partial agonist 8.7 pKi - 3
pKi 8.7 (Ki 1.9x10-9 M) [3]
EP3 receptor Hs Agonist Agonist 8.3 pKi - 1
pKi 8.3 (Ki 4.8x10-9 M) EP3-III isoform [1]
EP3 receptor Rn Agonist Agonist 7.1 pKi - 2
pKi 7.1 (Ki 7.3x10-8 M) EP3α isoform [2]