GW3965   Click here for help

GtoPdb Ligand ID: 2754

Synonyms: C473027 | GW 3965 | GW-3965
PDB Ligand Immunopharmacology Ligand
Compound class: Synthetic organic
Comment: GW3965 is a synthetic agonist of the liver X receptors (LXRs) α and β.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 14
Topological polar surface area 49.77
Molecular weight 581.19
XLogP 8.19
No. Lipinski's rules broken 2
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Canonical SMILES OC(=O)Cc1cccc(c1)OCCCN(CC(c1ccccc1)c1ccccc1)Cc1cccc(c1Cl)C(F)(F)F
Isomeric SMILES OC(=O)Cc1cccc(c1)OCCCN(CC(c1ccccc1)c1ccccc1)Cc1cccc(c1Cl)C(F)(F)F
InChI InChI=1S/C33H31ClF3NO3/c34-32-27(15-8-17-30(32)33(35,36)37)22-38(18-9-19-41-28-16-7-10-24(20-28)21-31(39)40)23-29(25-11-3-1-4-12-25)26-13-5-2-6-14-26/h1-8,10-17,20,29H,9,18-19,21-23H2,(H,39,40)
Selectivity at nuclear hormone receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Liver X receptor-β Hs Agonist Agonist 7.5 pEC50 - 1
pEC50 7.5 [1]
Liver X receptor-α Hs Agonist Agonist 6.7 pEC50 - 1
pEC50 6.7 [1]
Ligand mentioned in the following text fields