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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL557580
CHEMBL557580
Compound Name MURAGLITAZAR CHLORIDE
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C29H29ClN2O7

Additional synonyms for CHEMBL557580 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.COc1ccc(OC(=O)N(CC(=O)O)Cc2ccc(OCCc3nc(oc3C)c4ccccc4)cc2) ...
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Standard InChI InChI=1S/C29H28N2O7.ClH/c1-20-26(30-28(37-20)22-6-4-3-5-7-22 ...
Download InChI
Standard InChI Key VNRMGWLEPYHHBK-UHFFFAOYSA-N

Clinical Trials for Compound

Number of clinical trials registered at clinicaltrials.gov

Alternate Forms of Compound in ChEMBL


CHEMBL557580

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 CHEMBL557580. 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
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL2459 Peroxisome proliferator-activated receptor gamma Mus musculus 0.621
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 0.562
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.277



10uM


ChEMBL_ID Target Name Organism Score
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
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 0.963
CHEMBL2459 Peroxisome proliferator-activated receptor gamma Mus musculus 0.739

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Ro5 Violations #Rotatable Bonds Ro3 Med Chem Friendly Molecular Species
516.5 516.1897 4.85 1 12 No Yes ACID


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms Num Alerts QED Weighted
3.82 1.34 4.44 1.08 4 38 0 0.29

Compound Cross References

ChemSpider ChemSpider:VNRMGWLEPYHHBK-UHFFFAOYSA-N
Wikipedia Muraglitazar

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL557580



PubChem 45263732

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