ARHALOFENATE

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Search structure


Synonyms	Arhalofenate CB-102 CB102 JNJ-39659100 M-102 M102 MBX-102
Status
Molecule Category	Free-form
UNII	1P01UJR9X1

Structure


InChI Key	BJBCSGQLZQGGIQ-QGZVFWFLSA-N
Smiles	CC(=O)NCCOC(=O)[C@H](Oc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1
InChI	InChI=1S/C19H17ClF3NO4/c1-12(25)24-9-10-27-18(26)17(13-5-7-15(20)8-6-13)28-16-4-2-3-14(11-16)19(21,22)23/h2-8,11,17H,9-10H2,1H3,(H,24,25)/t17-/m1/s1

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C19H17ClF3NO4
Molecular Weight	415.8
AlogP	4.16
Hydrogen Bond Acceptor	4.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	7.0
Polar Surface Area	64.63
Molecular species	NEUTRAL
Aromatic Rings	2.0
Heavy Atoms	28.0

Pharmacology

Mechanism of Action	Action	Reference
Peroxisome proliferator-activated receptor gamma modulator	MODULATOR	PubMed

Target Conservation


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











Protein: Solute carrier family 22 member 12 Description: Solute carrier family 22 member 12 Organism : Homo sapiens Q96S37 ENSG00000197891

Cross References

Resources	Reference
ChEMBL	CHEMBL2103824
DrugBank	DB11811
FDA SRS	1P01UJR9X1
PubChem	12082259
SureChEMBL	SCHEMBL3302781
ZINC	ZINC000002012859

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