lanifibranor   Click here for help

GtoPdb Ligand ID: 12737

Synonyms: compound 5 [PMID: 29446942] | IVA-337 | IVA337
PDB Ligand
Compound class: Synthetic organic
Comment: Lanifibranor (IVA337) is a pan-peroxisome proliferator-activated receptor (PPAR) agonist that was developed as an antifibrotic clinical lead [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 120.72
Molecular weight 434.92
XLogP 2.05
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES C(CC1=CC2=C(C=CC(=C2)Cl)N1S(=O)(=O)C3=CC4=C(C=C3)N=CS4)CC(=O)O
Isomeric SMILES ClC1=CC=C2N(S(=O)(C3=CC=4SC=NC4C=C3)=O)C(CCCC(O)=O)=CC2=C1
InChI InChI=1S/C19H15ClN2O4S2/c20-13-4-7-17-12(8-13)9-14(2-1-3-19(23)24)22(17)28(25,26)15-5-6-16-18(10-15)27-11-21-16/h4-11H,1-3H2,(H,23,24)
InChI Key OQDQIFQRNZIEEJ-UHFFFAOYSA-N
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 Agonist 6.7 pEC50 - 1
pEC50 6.7 (EC50 2.06x10-7 M) [1]
Peroxisome proliferator-activated receptor-β/δ Hs Agonist Agonist 6.1 pEC50 - 1
pEC50 6.1 (EC50 8.66x10-7 M) [1]
Peroxisome proliferator-activated receptor-α Hs Agonist Agonist 5.8 pEC50 - 1
pEC50 5.8 (EC50 1.537x10-6 M) [1]