ALEGLITAZAR

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Search structure


Synonyms	Aleglitazar R-1439 R1439 RO-0728804 RO0728804 Ro-0728804
Status
Molecule Category	Free-form
UNII	41T4OAG59U
EPA CompTox	DTXSID70197193

Structure


InChI Key	DAYKLWSKQJBGCS-NRFANRHFSA-N
Smiles	CO[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)c2ccsc12)C(=O)O
InChI	InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C24H23NO5S
Molecular Weight	437.52
AlogP	5.13
Hydrogen Bond Acceptor	6.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	9.0
Polar Surface Area	81.79
Molecular species	ACID
Aromatic Rings	4.0
Heavy Atoms	31.0

Pharmacology

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

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 1	50	38	-	-	-
Transcription factor Nuclear receptor Nuclear hormone receptor subfamily 1 Nuclear hormone receptor subfamily 1 group C Nuclear hormone receptor subfamily 1 group C member 2	53	-	-	-	-
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	21	19	-	-	-

	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Homo sapiens	21-50	19-38	-	-	-

Target Conservation


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











Protein: Peroxisome proliferator-activated receptor alpha Description: Peroxisome proliferator-activated receptor alpha Organism : Homo sapiens Q07869 ENSG00000186951

Cross References

Resources	Reference
ChEMBL	CHEMBL519504
DrugBank	DB08915
FDA SRS	41T4OAG59U
Guide to Pharmacology	7405
PDB	RO7
PubChem	10274777
SureChEMBL	SCHEMBL482284
ZINC	ZINC000049573657

CONTENTS

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...

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Last update: Monday, 3 November 2025