LY-465608   

GtoPdb Ligand ID: 2659

Synonyms: LY 465608 | LY465608
Compound class: Synthetic organic
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 9
Topological polar surface area 81.79
Molecular weight 457.19
XLogP 6.02
No. Lipinski's rules broken 1
SMILES / InChI / InChIKey
Canonical SMILES Cc1oc(nc1CCOc1ccc(cc1)OC(C(=O)O)(C)C)c1ccc(cc1)c1ccccc1
Isomeric SMILES Cc1oc(nc1CCOc1ccc(cc1)OC(C(=O)O)(C)C)c1ccc(cc1)c1ccccc1
InChI InChI=1S/C28H27NO5/c1-19-25(17-18-32-23-13-15-24(16-14-23)34-28(2,3)27(30)31)29-26(33-19)22-11-9-21(10-12-22)20-7-5-4-6-8-20/h4-16H,17-18H2,1-3H3,(H,30,31)
InChI Key JDJHTJNBMZSSLK-UHFFFAOYSA-N
Selectivity at nuclear hormone receptors
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
Peroxisome proliferator-activated receptor-α Hs Agonist Agonist 6.8 pIC50 - 1-2
pIC50 6.8 [1-2]
Peroxisome proliferator-activated receptor-γ Hs Agonist Full agonist 6.3 pIC50 - 1
pIC50 6.3 [1]