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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL981
CHEMBL981
Compound Name FENOFIBRIC ACID
ChEMBL Synonyms Fenogal | CHOLINE FENOFIBRATE | Trilipix | Lofibra | ABT-335 | Lipanthyl | Lipofen | TRILIPIX | Fenocor-67 | FIBRICOR | Supralip | FENOFIBRIC ACID
Max Phase 4 (Approved)
Trade Names Fenogal | Lofibra | Trilipix | Lipanthyl | FENOFIBRIC ACID | FIBRICOR | Fenocor-67 | TRILIPIX | Supralip | Lipofen
Molecular Formula C17H15ClO4

Additional synonyms for CHEMBL981 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(Oc1ccc(cc1)C(=O)c2ccc(Cl)cc2)C(=O)O
Standard InChI InChI=1S/C17H15ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15 ...
Download InChI
Standard InChI Key MQOBSOSZFYZQOK-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • Curated Drug Metabolism Pathways
  • Orange Book
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL981

Molecule Features

CHEMBL981 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N 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
MedulloblastomaD008527EFO:0002939medulloblastoma2ClinicalTrials
Diabetic RetinopathyD003930EFO:0003770diabetic retinopathy2ClinicalTrials
Lipid Metabolism DisordersD052439Orphanet:309005Disorder of lipid metabolism3ClinicalTrials
HypertriglyceridemiaD015228EFO:0004211Hypertriglyceridemia3ClinicalTrials
AlcoholismD000437EFO:0003829alcohol dependence2ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
HypercholesterolemiaD006937HP:0003124hypercholesterolemia3ClinicalTrials
Hyperlipidemia, Familial CombinedD006950Orphanet:79211Combined hyperlipidemia3ClinicalTrials

Clinical Data

ClinicalTrials.gov FENOFIBRIC ACID
The Cochrane Collaboration FENOFIBRIC ACID

Metabolites for CHEMBL981

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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 CHEMBL981. 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
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL3593 Lanosterol synthase Homo sapiens 0.704
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.625
CHEMBL2527 Serine/threonine-protein kinase Chk2 Homo sapiens 0.336
CHEMBL1862 Tyrosine-protein kinase ABL Homo sapiens 0.262
CHEMBL1743183 Leukotriene C4 synthase Homo sapiens 0.229



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 1.000
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 1.000
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL2327 Neurokinin 2 receptor Homo sapiens 0.881
CHEMBL3593 Lanosterol synthase Homo sapiens 0.707
CHEMBL5815 C-C chemokine receptor type 9 Homo sapiens 0.406
CHEMBL3910 11-beta-hydroxysteroid dehydrogenase 1 Mus musculus 0.238
CHEMBL2622 Aldose reductase Rattus norvegicus 0.225
CHEMBL1862 Tyrosine-protein kinase ABL Homo sapiens 0.219

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
318.8 318.0659 3.81 5 63.6 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 4 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.08 - 3.99 .35 2 22 0.85

Structural Alerts

There are 1 structural alerts for CHEMBL981. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C10 - LIPID MODIFYING AGENTS
C10A - LIPID MODIFYING AGENTS, PLAIN
C10AB - Fibrates
C10AB11 - choline fenofibrate

ChemSpider ChemSpider:MQOBSOSZFYZQOK-UHFFFAOYSA-N
DailyMed choline fenofibrate fenofibric acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL981



ACToR 42017-89-0
BindingDB 28700
Brenda 49052
ChEBI 83469
ChemicalBook CB8400259
DrugBank DB13873
DrugCentral 4505
eMolecules 591140
EPA CompTox Dashboard DTXSID8041030
FDA SRS BGF9MN2HU1
Guide to Pharmacology 2662
IBM Patent System AACA0F979C3A26A087D40B0DB733D026
Mcule MCULE-1938576029
Metabolights MTBLC83469
MolPort MolPort-000-002-475
Nikkaji J22.637H
PubChem 64929
PubChem: Thomson Pharma 15988368
SureChEMBL SCHEMBL16377
ZINC ZINC000000001984

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