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
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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)
Classification Click here for help
Compound class Synthetic organic
International Nonproprietary Names Click here for help
INN number INN
10474 lanifibranor
Synonyms Click here for help
compound 5 [PMID: 29446942] | IVA-337 | IVA337
Database Links Click here for help
BindingDB Ligand 50244350
CAS Registry No. 927961-18-0 (source: WHO INN record)
ChEMBL Ligand CHEMBL4091374
DrugBank Ligand DB14801
GtoPdb PubChem SID 483123285
PubChem CID 68677842
Search Google for chemical match using the InChIKey OQDQIFQRNZIEEJ-UHFFFAOYSA-N
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UniChem Compound Search for chemical match using the InChIKey OQDQIFQRNZIEEJ-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey OQDQIFQRNZIEEJ-UHFFFAOYSA-N