T0901317   Click here for help

GtoPdb Ligand ID: 2755

Synonyms: T 0901317 | T-0901317
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: T0901317 is a synthetic agonist of the liver X receptors (LXRs), equipotent at the α and β receptor isoforms. T0901317-induced repression of the gluconeogenic enzyme glucose-6-phosphatase is is ROR-dependent and is not associated with the ligand's LXR activity [3].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 8
Topological polar surface area 65.99
Molecular weight 481.04
XLogP 6.53
No. Lipinski's rules broken 1
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Canonical SMILES FC(CN(S(=O)(=O)c1ccccc1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)(F)F
Isomeric SMILES FC(CN(S(=O)(=O)c1ccccc1)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)(F)F
InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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
RAR-related orphan receptor-γ Hs Agonist Inverse agonist 7.3 pKi - 3
pKi 7.3 (Ki 5.1x10-8 M) [3]
RAR-related orphan receptor-α Hs Agonist Inverse agonist 6.9 pKi - 3
pKi 6.9 (Ki 1.32x10-7 M) [3]
Liver X receptor-β Hs Agonist Agonist 7.3 pEC50 - 5
pEC50 7.3 [5]
Liver X receptor-α Hs Agonist Agonist 7.3 pEC50 - 5
pEC50 7.3 [5]
Targets where the ligand is described in the comment field
Target Comment
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