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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL153867
CHEMBL153867
Compound Name PIRIFIBRATE
ChEMBL Synonyms PIRIFIBRATE
Max Phase 0
Trade Names
Molecular Formula C17H18ClNO4

Additional synonyms for CHEMBL153867 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(Oc1ccc(Cl)cc1)C(=O)OCc2cccc(CO)n2
Standard InChI InChI=1S/C17H18ClNO4/c1-17(2,23-15-8-6-12(18)7-9-15)16(21)22 ...
Download InChI
Standard InChI Key YJBIJSVYPHRVCI-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL153867

Molecule Features

CHEMBL153867 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

Clinical Data

ClinicalTrials.gov PIRIFIBRATE
The Cochrane Collaboration PIRIFIBRATE

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 CHEMBL153867. 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 0.901

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 0.930

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
335.8 335.0924 3.13 6 68.65 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
13.2 3.08 2.85 2.85 2 23 0.82

Structural Alerts

There are 2 structural alerts for CHEMBL153867. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YJBIJSVYPHRVCI-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL153867



ACToR 55285-45-5
ChEBI 135427
DrugCentral 2204
EPA CompTox Dashboard DTXSID30203789
FDA SRS E82B3Z65BN
Nikkaji J11.441C
PubChem 68720
PubChem: Thomson Pharma 14777719
SureChEMBL SCHEMBL49309
ZINC ZINC000000001960

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