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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL672
CHEMBL672
Compound Name FENOFIBRATE
ChEMBL Synonyms ANTARA (MICRONIZED) | FENOFIBRATE | FENOGLIDE | TRIGLIDE | LIPANTIL | TRICOR | LIPIDIL | LIPANTIL MICRO 200 | LIPANTIL MICRO 267 | FENOGAL | LIPANTIL MICRO 67 | SUPRALIP 160 | LIPOFEN | FENOFIBRATE (MICRONIZED)
Max Phase 4 (Approved)
Trade Names FENOFIBRATE (MICRONIZED) | LIPOFEN | ANTARA (MICRONIZED) | LIPANTIL MICRO 67 | SUPRALIP 160 | FENOGLIDE | LIPANTIL | TRIGLIDE | LIPANTIL MICRO 200 | LIPIDIL | TRICOR | FENOGAL | LIPANTIL MICRO 267
Molecular Formula C20H21ClO4

Additional synonyms for CHEMBL672 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)OC(=O)C(C)(C)Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2
Standard InChI InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8- ...
Download InChI
Standard InChI Key YMTINGFKWWXKFG-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Curated Drug Metabolism Pathways
  • 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


CHEMBL672

Molecule Features

CHEMBL672 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:Prescription-only

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Metabolic DiseasesD008659EFO:0000589metabolic disease3ClinicalTrials
Multiple MyelomaD009101EFO:0001378multiple myeloma2ClinicalTrials
ObesityD009765EFO:0001073obesity2ClinicalTrials
Diabetic RetinopathyD003930EFO:0003770diabetic retinopathy3ClinicalTrials
HyperlipidemiasD006949EFO:0003774hyperlipidemia3ClinicalTrials
HypertriglyceridemiaD015228EFO:0004211Hypertriglyceridemia3ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
ClinicalTrials
Hyperlipidemia, Familial CombinedD006950Orphanet:79211Combined hyperlipidemia3ClinicalTrials
HypercholesterolemiaD006937HP:0003124hypercholesterolemia4ClinicalTrials
DailyMed
Lipid Metabolism DisordersD052439Orphanet:309005Disorder of lipid metabolism3ClinicalTrials
DyslipidemiasD050171HP:0003119Abnormality of lipid metabolism4DailyMed
Liver Cirrhosis, BiliaryD008105EFO:1001486primary biliary cirrhosis3ClinicalTrials
HIV InfectionsD015658EFO:0000180HIV-1 infection2ClinicalTrials
Hyperlipoproteinemia Type IIID006952Orphanet:412Hyperlipoproteinemia type 33ClinicalTrials
AlcoholismD000437EFO:0003829alcohol dependence2ClinicalTrials
Cholangitis, SclerosingD015209EFO:0004268sclerosing cholangitis1ClinicalTrials
Coronary Artery DiseaseD003324EFO:0000378coronary artery disease3ClinicalTrials
Diabetes Mellitus, Type 2D003924EFO:0001360type II diabetes mellitus3ClinicalTrials
Metabolic SyndromeD024821EFO:0000195metabolic syndrome2ClinicalTrials

Clinical Data

ClinicalTrials.gov FENOFIBRATE
The Cochrane Collaboration FENOFIBRATE

Metabolites for CHEMBL672

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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 CHEMBL672. 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
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 0.999
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.987
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.380

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 0.998
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.976
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.719

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
360.8 360.1128 4.68 6 52.6 -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 5.8 5.8 2 25 0.55

Structural Alerts

There are 2 structural alerts for CHEMBL672. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C10 - LIPID MODIFYING AGENTS
C10A - LIPID MODIFYING AGENTS, PLAIN
C10AB - Fibrates
C10AB05 - fenofibrate

ChemSpider ChemSpider:YMTINGFKWWXKFG-UHFFFAOYSA-N
DailyMed fenofibrate
PubChem SID: 104171156 SID: 11111181 SID: 11111182 SID: 124880099 SID: 144203698 SID: 144210471 SID: 170464718 SID: 174007303 SID: 26746914 SID: 26751450 SID: 50103926 SID: 56422492 SID: 85231046 SID: 855565 SID: 90340778
Wikipedia Fenofibrate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL672



ACToR 49562-28-9
Atlas fenofibrate
BindingDB 50085042
Brenda 6805 132787
ChEBI 5001
ChemicalBook CB8266802
DrugBank DB01039
DrugCentral 1152
eMolecules 538429
EPA CompTox Dashboard DTXSID2029874
FDA SRS U202363UOS
Guide to Pharmacology 7186
Human Metabolome Database HMDB0015173
IBM Patent System 99D0ADC345AF99A734D9D71D0EE3E27D
KEGG Ligand C07586
LINCS LSM-3107
Mcule MCULE-9460650238
MolPort MolPort-002-887-051
NIH Clinical Collection SAM002264613
Nikkaji J10.021H
PharmGKB PA449594
PubChem 3339
PubChem: Drugs of the Future 22395205
PubChem: Thomson Pharma 14901407
Selleck Fenofibrate(Tricor)
SureChEMBL SCHEMBL4670
ZINC ZINC000000584092

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