GW9578   Click here for help

GtoPdb Ligand ID: 2673

Synonyms: GW 9578 | GW-9578
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 15
Topological polar surface area 94.94
Molecular weight 492.23
XLogP 6.66
No. Lipinski's rules broken 2
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Canonical SMILES CCCCCCCN(C(=O)Nc1ccc(cc1F)F)CCc1ccc(cc1)SC(C(=O)O)(C)C
Isomeric SMILES CCCCCCCN(C(=O)Nc1ccc(cc1F)F)CCc1ccc(cc1)SC(C(=O)O)(C)C
InChI InChI=1S/C26H34F2N2O3S/c1-4-5-6-7-8-16-30(25(33)29-23-14-11-20(27)18-22(23)28)17-15-19-9-12-21(13-10-19)34-26(2,3)24(31)32/h9-14,18H,4-8,15-17H2,1-3H3,(H,29,33)(H,31,32)
Selectivity at nuclear hormone receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Peroxisome proliferator-activated receptor-α Hs Agonist Agonist 7.3 pEC50 - 1-3
pEC50 7.3 [1-3]
Peroxisome proliferator-activated receptor-γ Hs Agonist Full agonist 6.0 pEC50 - 2
pEC50 6.0 [2]
Peroxisome proliferator-activated receptor-β/δ Hs Agonist Full agonist 5.9 pEC50 - 2
pEC50 5.9 [2]