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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL557555
CHEMBL557555
Compound Name CIPROFIBRATE
ChEMBL Synonyms CIPROFIBRATE | MODALIM | WIN 35833
Max Phase 4 (Approved)
Trade Names MODALIM
Molecular Formula C13H14Cl2O3

Additional synonyms for CHEMBL557555 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(Oc1ccc(cc1)C2CC2(Cl)Cl)C(=O)O
Standard InChI InChI=1S/C13H14Cl2O3/c1-12(2,11(16)17)18-9-5-3-8(4-6-9)10-7- ...
Download InChI
Standard InChI Key KPSRODZRAIWAKH-UHFFFAOYSA-N

Sources

  • British National Formulary
  • DrugMatrix
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL557555

Molecule Features

CHEMBL557555 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC

Clinical Data

ClinicalTrials.gov CIPROFIBRATE
The Cochrane Collaboration CIPROFIBRATE

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 CHEMBL557555. 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
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 0.999
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.999
CHEMBL4429 Neurokinin 3 receptor Homo sapiens 0.998
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 0.968
CHEMBL3590 Hormone sensitive lipase Homo sapiens 0.847
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.380



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL239 Peroxisome proliferator-activated receptor alpha Homo sapiens 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 1.000
CHEMBL4429 Neurokinin 3 receptor Homo sapiens 0.999
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 0.981
CHEMBL3590 Hormone sensitive lipase Homo sapiens 0.830
CHEMBL249 Neurokinin 1 receptor Homo sapiens 0.402
CHEMBL2458 Peroxisome proliferator-activated receptor delta Mus musculus 0.264
CHEMBL4235 11-beta-hydroxysteroid dehydrogenase 1 Homo sapiens 0.263
CHEMBL2888 Metabotropic glutamate receptor 3 Homo sapiens 0.233

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
289.2 288.032 3.59 4 46.53 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
3.31 - 2.93 -.66 1 18 0.86

Structural Alerts

There are 2 structural alerts for CHEMBL557555. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C10 - LIPID MODIFYING AGENTS
C10A - LIPID MODIFYING AGENTS, PLAIN
C10AB - Fibrates
C10AB08 - ciprofibrate

ChemSpider ChemSpider:KPSRODZRAIWAKH-UHFFFAOYSA-N
PubChem SID: 144205674 SID: 144208557 SID: 144213157 SID: 170466356 SID: 26757866 SID: 50105908 SID: 56463556 SID: 85230953 SID: 90340632
Wikipedia Ciprofibrate

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL557555



ACToR 52214-84-3
Atlas ciprofibrate
BindingDB 50371235
Brenda 22677
ChEBI 50867
ChemicalBook CB0329743
DrugBank DB09064
DrugCentral 658
eMolecules 535640
EPA CompTox Dashboard DTXSID8020331
Guide to Pharmacology 3438
IBM Patent System DF541009075BF10D6D4110F9F6B8A00E
LINCS LSM-1600
Mcule MCULE-8060052925
MolPort MolPort-003-666-795
Nikkaji J10.383G
PubChem 2763
PubChem: Drugs of the Future 12013723
PubChem: Thomson Pharma 14775650
Selleck ciprofibrate
SureChEMBL SCHEMBL26870

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