FARGLITAZAR

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 3433GY7132
EPA CompTox DTXSID1047310

Structure

InChI Key ZZCHHVUQYRMYLW-HKBQPEDESA-N
Smiles Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1
InChI
InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C34H30N2O5
Molecular Weight 546.62
AlogP 6.61
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 101.66
Molecular species ACID
Aromatic Rings 5.0
Heavy Atoms 41.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor gamma agonist AGONIST 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
122-457.09 - - 489.78-490 -
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
0.3388-6 25-217 - 1.1-1.148 -
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
0.3388-457.09 25-217 - - -
Mus musculus
0.35 - - - -

Target Conservation

Protein: Peroxisome proliferator-activated receptor gamma
Description: Peroxisome proliferator-activated receptor gamma
Organism : Homo sapiens
P37231 ENSG00000132170

Cross References

Resources Reference
ChEMBL CHEMBL107367
FDA SRS 3433GY7132
Guide to Pharmacology 2672
PDB 570
PubChem 170364
SureChEMBL SCHEMBL501024
ZINC ZINC000049639808
CONTENTS