BEZAFIBRATE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
ATC C10AB02
UNII Y9449Q51XH
EPA CompTox DTXSID3029869

Structure

InChI Key IIBYAHWJQTYFKB-UHFFFAOYSA-N
Smiles CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O
InChI
InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H20ClNO4
Molecular Weight 361.83
AlogP 3.55
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 75.63
Molecular species ACID
Aromatic Rings 2.0
Heavy Atoms 25.0

Pharmacology

Mechanism of Action Action Reference
Peroxisome proliferator-activated receptor agonist AGONIST PubMed PubMed PubMed PubMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 72.82-74.47
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- - - - 72.82-74.47

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

Environmental Exposure

Environmental Exposure Map
Countries
Germany
Hungary

Cross References

Resources Reference
ChEBI 47612
ChEMBL CHEMBL264374
DrugBank DB01393
DrugCentral 362
FDA SRS Y9449Q51XH
Human Metabolome Database HMDB0015465
Guide to Pharmacology 2668
PDB PEM
PharmGKB PA162364313
PubChem 39042
SureChEMBL SCHEMBL16299
ZINC ZINC000003956919
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