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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104753
CHEMBL2104753
Compound Name RIVOGLITAZONE
ChEMBL Synonyms RIVOGLITAZONE | CS-011 | R-106056 | DE-101
Max Phase 3
Trade Names
Molecular Formula C20H19N3O4S

Additional synonyms for CHEMBL2104753 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1
Standard InChI InChI=1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23) ...
Download InChI
Standard InChI Key XMSXOLDPMGMWTH-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL2104753

Molecule Features

CHEMBL2104753 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Mechanism of Action

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

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
DIABETES MELLITUS, TYPE 2D003924EFO:0001360TYPE II DIABETES MELLITUS3ClinicalTrials

Clinical Data

ClinicalTrials.gov RIVOGLITAZONE
The Cochrane Collaboration RIVOGLITAZONE

Metabolites for CHEMBL2104753

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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 CHEMBL2104753. 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
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.937

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.981

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
397.5 397.1096 3.55 6 107.75 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
6.34 5.06 2.48 1.42 3 28 0.68

Structural Alerts

There are 2 structural alerts for CHEMBL2104753. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:XMSXOLDPMGMWTH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104753



ACToR 185428-18-6
DrugBank DB09200
Nikkaji J2.639.094J
PDBe 7VA
PubChem 3055168
PubChem: Thomson Pharma 14878944
SureChEMBL SCHEMBL143498

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