LANIFIBRANOR

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Synonyms
Status
Molecule Category Free-form
UNII 28Q8AG0PYL

Structure

InChI Key OQDQIFQRNZIEEJ-UHFFFAOYSA-N
Smiles O=C(O)CCCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccc2ncsc2c1
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H15ClN2O4S2
Molecular Weight 434.93
AlogP 4.55
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 89.26
Molecular species ACID
Aromatic Rings 4.0
Heavy Atoms 28.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor agonist AGONIST PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 1
366 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 2
866 - - - -
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3
202-727 - - - -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
206-866 - - - -
Mus musculus
202-366 - - - -

Target Conservation

Protein: Peroxisome proliferator-activated receptor
Description: Peroxisome proliferator-activated receptor gamma
Organism : Homo sapiens
P37231 ENSG00000132170
Protein: Peroxisome proliferator-activated receptor
Description: Peroxisome proliferator-activated receptor delta
Organism : Homo sapiens
Q03181 ENSG00000112033
Protein: Peroxisome proliferator-activated receptor
Description: Peroxisome proliferator-activated receptor alpha
Organism : Homo sapiens
Q07869 ENSG00000186951

Cross References

Resources Reference
ChEMBL CHEMBL4091374
DrugBank DB14801
FDA SRS 28Q8AG0PYL
PDB BJB
SureChEMBL SCHEMBL3528615
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