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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

Sources

  • Scientific Literature

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
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL2459 Peroxisome proliferator-activated receptor gamma Mus musculus 1.000
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.407



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
CHEMBL2128 Peroxisome proliferator-activated receptor alpha Mus musculus 1.000
CHEMBL3979 Peroxisome proliferator-activated receptor delta Homo sapiens 1.000
CHEMBL2459 Peroxisome proliferator-activated receptor gamma Mus musculus 1.000

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
516.5 516.1897 4.85 12 111.33 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 1 9 1 0


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

Structural Alerts

There are 2 structural alerts for CHEMBL557580. To view alerts please click here.

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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