ragaglitazar   Click here for help

GtoPdb Ligand ID: 2664

PDB Ligand
Compound class: Synthetic organic
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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 9
Topological polar surface area 68.23
Molecular weight 419.17
XLogP 4.88
No. Lipinski's rules broken 0
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Canonical SMILES CCOC(C(=O)O)Cc1ccc(cc1)OCCN1c2ccccc2Oc2c1cccc2
Isomeric SMILES CCO[C@H](C(=O)O)Cc1ccc(cc1)OCCN1c2ccccc2Oc2c1cccc2
InChI InChI=1S/C25H25NO5/c1-2-29-24(25(27)28)17-18-11-13-19(14-12-18)30-16-15-26-20-7-3-5-9-22(20)31-23-10-6-4-8-21(23)26/h3-14,24H,2,15-17H2,1H3,(H,27,28)/t24-/m0/s1
Selectivity at nuclear hormone receptors
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
Peroxisome proliferator-activated receptor-γ Hs Agonist Full agonist 7.0 pIC50 - 1-3
pIC50 7.0 [1-3]
Peroxisome proliferator-activated receptor-α Hs Agonist Agonist 6.0 pIC50 - 2
pIC50 6.0 [2]