ARHALOFENATE

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 1P01UJR9X1

Structure
InChI Key BJBCSGQLZQGGIQ-QGZVFWFLSA-N
Smile 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

Action Mechanism of Action Reference
MODULATOR Peroxisome proliferator-activated receptor gamma modulator 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 3
7365-12000 - - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
12000 - - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Diabetes Mellitus, Type 2 2 D003924 ClinicalTrials
Gout 2 D006073 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
CAS NUMBER 24136-23-0
ChEMBL CHEMBL2103824
DrugBank DB11811
FDA SRS 1P01UJR9X1
PubChem 12082259
SureChEMBL SCHEMBL3302781
ZINC ZINC000002012859
CONTENTS