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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 R-106056 | Rivoglitazone
Max Phase 0
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

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

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL2104753

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 0.794
CHEMBL5137 Metabotropic glutamate receptor 2 Homo sapiens 0.209

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL235 Peroxisome proliferator-activated receptor gamma Homo sapiens 0.907
CHEMBL4422 Free fatty acid receptor 1 Homo sapiens 0.694

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 BASE


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
- 8.54 4.36 3.19 3 28 0.68

Compound Cross References

ChemSpider ChemSpider:XMSXOLDPMGMWTH-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104753



ACToR 185428-18-6
Nikkaji J2.639.094J
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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