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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1697831
CHEMBL1697831
Compound Name CLOFIBRIDE
ChEMBL Synonyms CLOFIBRIDE
Max Phase 0
Trade Names
Molecular Formula C16H22ClNO4

Additional synonyms for CHEMBL1697831 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CN(C)C(=O)CCCOC(=O)C(C)(C)Oc1ccc(Cl)cc1
Standard InChI InChI=1S/C16H22ClNO4/c1-16(2,22-13-9-7-12(17)8-10-13)15(20)2 ...
Download InChI
Standard InChI Key CXQGFLBVUNUQIA-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1697831

Molecule Features

CHEMBL1697831 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease0ATC

Clinical Data

ClinicalTrials.gov CLOFIBRIDE
The Cochrane Collaboration CLOFIBRIDE

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 CHEMBL1697831. 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
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.972
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 0.972
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.752
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.298
CHEMBL2035 Muscarinic acetylcholine receptor M5 Homo sapiens 0.265

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 0.952
CHEMBL1821 Muscarinic acetylcholine receptor M4 Homo sapiens 0.855
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 0.803
CHEMBL218 Cannabinoid CB1 receptor Homo sapiens 0.408

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
327.8 327.1237 2.91 7 55.84 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.11 3.11 1 22 0.57

Structural Alerts

There are 4 structural alerts for CHEMBL1697831. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C10 - LIPID MODIFYING AGENTS
C10A - LIPID MODIFYING AGENTS, PLAIN
C10AB - Fibrates
C10AB10 - clofibride

ChemSpider ChemSpider:CXQGFLBVUNUQIA-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1697831



ACToR 26717-47-5
ChEBI 135401
DrugBank DB13849
DrugCentral 696
EPA CompTox Dashboard DTXSID1022841
FDA SRS 0S9SLS3L93
IBM Patent System 5A9FCD55C99A5BF1B1CBEE2844D2FD43
Nikkaji J10.437J
PubChem 160134
PubChem: Thomson Pharma 15396902
SureChEMBL SCHEMBL2091
ZINC ZINC000003830586

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