EcoDrugPlus


Synonyms	CS-011 DE-101 R 106056 R-106056 Rivoglitazone
Status
Molecule Category	Free-form
UNII	3A3N0634Q6

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SubStructure

Threshold (%) >= 70


InChI Key	XMSXOLDPMGMWTH-UHFFFAOYSA-N
Smiles	COc1ccc2nc(COc3ccc(CC4SC(=O)NC4=O)cc3)n(C)c2c1
InChI	InChI=1S/C20H19N3O4S/c1-23-16-10-14(26-2)7-8-15(16)21-18(23)11-27-13-5-3-12(4-6-13)9-17-19(24)22-20(25)28-17/h3-8,10,17H,9,11H2,1-2H3,(H,22,24,25)

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C20H19N3O4S
Molecular Weight	397.46
AlogP	3.06
Hydrogen Bond Acceptor	7.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	6.0
Polar Surface Area	82.45
Molecular species	NEUTRAL
Aromatic Rings	3.0
Heavy Atoms	28.0

Mechanism of Action	Action	Reference
Peroxisome proliferator-activated receptor gamma agonist	AGONIST	Wikipedia PubMed PubMed Other

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 3	43	-	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	43	-	-	-	-

Target Conservation


Protein: Peroxisome proliferator-activated receptor gamma Description: Peroxisome proliferator-activated receptor gamma Organism : Homo sapiens P37231 ENSG00000132170

Cross References

Resources	Reference
ChEMBL	CHEMBL2104753
DrugBank	DB09200
FDA SRS	3A3N0634Q6
PDB	7VA
PubChem	3055168
SureChEMBL	SCHEMBL143498

EcoDrug+ was developed under the PREMIER Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information EcoDrug+ contains.

Elements of EcoDrug+ were developed under the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT Center for Science Ltd is thanked for providing computational resources. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).

Content of EcoDrug+ is provided without guarantee for correctness.

Cite Us:

Ashenafi Legehar, Siobhán Monaghan, Mael Briand, Akseli Niemelä, Leo Ghemtio, Ziaurrehman Tanoli, A Ross Brown, Charles R Tyler, Henri Xhaard, EcoDrug PLUS: an advanced database for drug target conservation analysis and environmental risk assessment, Nucleic Acids Research, 2025, gkaf1251 Read...

This work is licensed under Creative Commons Attribution-ShareAlike 4.0 International License

Last update: Monday, 3 November 2025

RIVOGLITAZONE

Structure

Physicochemical Descriptors

Pharmacology

Target Conservation

Related Entries

Cross References