Structure

InChI Key QNLWMPLUWMWDMQ-YTTGMZPUSA-N
Smiles O=C(c1ccc(F)cc1)c1ccccc1N[C@@H](Cc1ccc(OCCn2c3ccccc3c3ccccc32)cc1)C(=O)O
InChI
InChI=1S/C36H29FN2O4/c37-26-17-15-25(16-18-26)35(40)30-9-1-4-10-31(30)38-32(36(41)42)23-24-13-19-27(20-14-24)43-22-21-39-33-11-5-2-7-28(33)29-8-3-6-12-34(29)39/h1-20,32,38H,21-23H2,(H,41,42)/t32-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C36H29FN2O4
Molecular Weight 572.64
AlogP 7.35
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 11.0
Polar Surface Area 80.56
Molecular species ACID
Aromatic Rings 6.0
Heavy Atoms 43.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor agonist AGONIST PubMed

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 CHEMBL4650349
FDA SRS E6EJV1J6Y0