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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL565
CHEMBL565
Compound Name CLOFIBRATE
ChEMBL Synonyms ICI 28257 | CLOFIBRATE | ATROMID-S | CHLORFENISATE | AY-61123 | ATROMID
Max Phase 4 (Approved)
Trade Names CLOFIBRATE | ATROMID | ATROMID-S
Molecular Formula C12H15ClO3

Additional synonyms for CHEMBL565 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Standard InChI InChI=1S/C12H15ClO3/c1-4-15-11(14)12(2,3)16-10-7-5-9(13)6-8- ...
Download InChI
Standard InChI Key KNHUKKLJHYUCFP-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • Open TG-GATEs
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL565

Molecule Features

CHEMBL565 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:Y Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Discontinued

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Myocardial InfarctionD009203EFO:0000612myocardial infarction3ClinicalTrials
Coronary Artery DiseaseD003324EFO:0000378coronary artery disease3ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
Myocardial IschemiaD017202EFO:1001375Myocardial Ischemia3ClinicalTrials

Clinical Data

ClinicalTrials.gov CLOFIBRATE
The Cochrane Collaboration CLOFIBRATE

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 CHEMBL565. 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 0.999
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 0.994
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.542
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 0.484
CHEMBL3590 Hormone sensitive lipase Homo sapiens 0.432
CHEMBL3910 11-beta-hydroxysteroid dehydrogenase 1 Mus musculus 0.248
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.213



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.999
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 0.987
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 0.895
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.736
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.561
CHEMBL3590 Hormone sensitive lipase Homo sapiens 0.214

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
242.7 242.071 3.06 4 35.53 -


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.88 3.88 1 16 0.76

Structural Alerts

There are 2 structural alerts for CHEMBL565. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C10 - LIPID MODIFYING AGENTS
C10A - LIPID MODIFYING AGENTS, PLAIN
C10AB - Fibrates
C10AB01 - clofibrate

ChemSpider ChemSpider:KNHUKKLJHYUCFP-UHFFFAOYSA-N
PubChem SID: 11110971 SID: 119396 SID: 124879709 SID: 144203667 SID: 144209612 SID: 170465329 SID: 50106069 SID: 57260455 SID: 85230976 SID: 90341380
Wikipedia Clofibrate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL565



ACToR 637-07-0
Atlas clofibrate
BindingDB 50085047
Brenda 1278 47223 47220
ChEBI 3750
ChemicalBook CB5774380
DrugBank DB00636
DrugCentral 694
eMolecules 492659
EPA CompTox Dashboard DTXSID3020336
FDA SRS HPN91K7FU3
Guide to Pharmacology 2667
Human Metabolome Database HMDB0014774
IBM Patent System 962B296F944D4DB174F0C7F26669029F
KEGG Ligand C06916
LINCS LSM-2996
Mcule MCULE-9236719628
MolPort MolPort-000-145-477
Nikkaji J3.314F
PharmGKB PA449045
PubChem 2796
PubChem: Drugs of the Future 22395216
PubChem: Thomson Pharma 14798427
Selleck Clofibrate(Atromid-S)
SureChEMBL SCHEMBL2356
ZINC ZINC000000056648

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