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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL264374
CHEMBL264374
Compound Name BEZAFIBRATE
ChEMBL Synonyms BEZALIP | BEZAGEN XL | LIPAROL XL | BM 15.075 | BEZALIP-MONO | FIBRAZATE XL | BEZAFIBRATE | ZIMBACOL XL
Max Phase 4 (Approved)
Trade Names BEZALIP | FIBRAZATE XL | BEZAGEN XL | BEZALIP-MONO | ZIMBACOL XL | LIPAROL XL
Molecular Formula C19H20ClNO4

Additional synonyms for CHEMBL264374 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O
Standard InChI InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)1 ...
Download InChI
Standard InChI Key IIBYAHWJQTYFKB-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL264374

Molecule Features

CHEMBL264374 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

Mechanism of Action ChEMBL Target References
Peroxisome proliferator-activated receptor agonist Peroxisome proliferator-activated receptor PubMed PubMed PubMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Bipolar DisorderD001714EFO:0000289bipolar disorder2ClinicalTrials
Hyperlipidemia, Familial CombinedD006950Orphanet:79211Combined hyperlipidemia2ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
Liver Cirrhosis, BiliaryD008105EFO:1001486primary biliary cirrhosis3ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus2ClinicalTrials
Lipid Metabolism DisordersD052439Orphanet:309005Disorder of lipid metabolism3ClinicalTrials
Mitochondrial DiseasesD028361Orphanet:68380Mitochondrial disease2ClinicalTrials

Clinical Data

ClinicalTrials.gov BEZAFIBRATE
The Cochrane Collaboration BEZAFIBRATE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL264374. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 1.000
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL1985 Glucagon receptor Homo sapiens 1.000
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 0.999
CHEMBL4383 Gastric inhibitory polypeptide receptor Homo sapiens 0.998
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.990
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.949
CHEMBL3060 Glycine transporter 2 Homo sapiens 0.947
CHEMBL5669 Epoxide hydrolase 2 Rattus norvegicus 0.687
CHEMBL6152 Alpha-synuclein Homo sapiens 0.639
CHEMBL5451 Sodium channel protein type X alpha subunit Homo sapiens 0.421
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.380
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.336



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 1.000
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 1.000
CHEMBL1985 Glucagon receptor Homo sapiens 1.000
CHEMBL4187 Sodium channel protein type II alpha subunit Homo sapiens 1.000
CHEMBL4383 Gastric inhibitory polypeptide receptor Homo sapiens 1.000
CHEMBL1835 Thromboxane-A synthase Homo sapiens 0.996
CHEMBL3060 Glycine transporter 2 Homo sapiens 0.977
CHEMBL2069 Thromboxane A2 receptor Homo sapiens 0.927
CHEMBL4773 Glucagon receptor Mus musculus 0.894
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.788
CHEMBL5669 Epoxide hydrolase 2 Rattus norvegicus 0.400
CHEMBL5857 Trace amine-associated receptor 1 Homo sapiens 0.383
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.316
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.280
CHEMBL2409 Epoxide hydratase Homo sapiens 0.206

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
361.8 361.1081 3.55 7 75.63 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 5 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.29 - 2.5 -1.09 2 25 0.79

Structural Alerts

There are no structural alerts for CHEMBL264374

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C10 - LIPID MODIFYING AGENTS
C10A - LIPID MODIFYING AGENTS, PLAIN
C10AB - Fibrates
C10AB02 - bezafibrate

ChemSpider ChemSpider:IIBYAHWJQTYFKB-UHFFFAOYSA-N
PubChem SID: 11112764 SID: 144204196 SID: 144212162 SID: 170465743 SID: 26751546 SID: 26751547 SID: 56422496 SID: 855877 SID: 90341401
Wikipedia Bezafibrate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL264374



ACToR 41859-67-0
Atlas bezafibrate
BindingDB 28701
Brenda 105590
ChEBI 47612
ChemicalBook CB1188501
DrugBank DB01393
DrugCentral 362
eMolecules 535336
EPA CompTox Dashboard DTXSID3029869
FDA SRS Y9449Q51XH
Guide to Pharmacology 2668
Human Metabolome Database HMDB0015465
IBM Patent System EE5ABDAA3CBBFE4F2F1FFB7080A0ED12
LINCS LSM-3015
Mcule MCULE-9775992840
MolPort MolPort-001-738-424
Nikkaji J16.626J
PDBe PEM
PharmGKB PA162364313
PubChem 39042
PubChem: Drugs of the Future 12015374
PubChem: Thomson Pharma 14926008
SureChEMBL SCHEMBL16299
ZINC ZINC000003956919

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IIBYAHWJQTYFKB-UHFFFAOYSA-N spacer
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