BEZAFIBRATE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: Parent
ATC: C10AB02
UNII: Y9449Q51XH

Structure
InChI Key IIBYAHWJQTYFKB-UHFFFAOYSA-N
Smile 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

Experimental and Estimated Properties

Property Name Value Unit Method
log P (octanol-water) 4.250 - EST
Atmospheric OH Rate Constant 4.03E-11 cm3/molecule-sec EST
Melting Point 186 deg C EXP

Pharmacology

Action Mechanism of Action Reference
AGONIST Peroxisome proliferator-activated receptor agonist PubMed PubMed PubMed PubMed
Primary Target
Peroxisome proliferator-activated receptor-α
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Auxiliary transport protein Fatty acid binding protein family
- - - 33000 -
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
7100-50000 - - - -
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
18900-35740 - - - -
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
3000-100000 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 73

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Liver Cirrhosis, Biliary 3 D008105 ClinicalTrials
Cholangitis, Sclerosing 3 D015209 ClinicalTrials
Mitochondrial Diseases 2 D028361 ClinicalTrials
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Bipolar Disorder 2 D001714 ClinicalTrials
Hyperlipidemia, Familial Combined 2 D006950 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 41859-67-0
ChEBI 47612
ChEMBL CHEMBL264374
DrugBank DB01393
DrugCentral 362
EPA CompTox DTXSID3029869
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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