U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C28H29NO6S2
Molecular Weight 539.663
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GPR40 Activator 2

SMILES

CC1=CC(OCCCS(C)(=O)=O)=CC(C)=C1C2=CC=CC(COC3=CC=C(C=C3)C4=CC(O)=N[S@@+]4[O-])=C2

InChI

InChIKey=AUYCNSCKGNAXFS-PSXMRANNSA-N
InChI=1S/C28H29NO6S2/c1-19-14-25(34-12-5-13-37(3,32)33)15-20(2)28(19)23-7-4-6-21(16-23)18-35-24-10-8-22(9-11-24)26-17-27(30)29-36(26)31/h4,6-11,14-17H,5,12-13,18H2,1-3H3,(H,29,30)/t36-/m1/s1

HIDE SMILES / InChI

Description

GPR40 agonist with potential therapeutic activity against diabetes.

Originator

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Free fatty acid receptor 1
11
Target ID: O14842
Gene ID: 2864.0
Gene Symbol: FFAR1
Target Organism: Homo sapiens (Human)
Agonist
2752
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Patents

Patents

US2014057871
1
US2015225392
1
US2015266839
1
US8476287
1

Sample Use Guides

In Vivo Use Guide
Unknown
Route of Administration: Unknown
In Vitro Use Guide
Unknown
Name Type Language
MK-8655
Preferred Name English
GPR40 Activator 2
Common Name English
3(2H)-ISOTHIAZOLONE, 5-(4-((2',6'-DIMETHYL-4'-(3-(METHYLSULFONYL)PROPOXY)(1,1'-BIPHENYL)-3-YL)METHOXY)PHENYL)-, 1-OXIDE
Systematic Name English
MK8655
Code English
5-[4-[[3-[2,6-Dimethyl-4-[3-(methylsulfonyl)propoxy]phenyl]phenyl]methoxy]phenyl]isothiazol-3-ol 1-oxide
Systematic Name English
Code System Code Type Description
PUBCHEM
67121842
Created by admin on Wed Apr 02 03:40:38 GMT 2025 , Edited by admin on Wed Apr 02 03:40:38 GMT 2025
PRIMARY
CAS
1312787-30-6
Created by admin on Wed Apr 02 03:40:38 GMT 2025 , Edited by admin on Wed Apr 02 03:40:38 GMT 2025
PRIMARY
FDA UNII
Z46TAO2VSP
Created by admin on Wed Apr 02 03:40:38 GMT 2025 , Edited by admin on Wed Apr 02 03:40:38 GMT 2025
PRIMARY
NIH
NCATS
PRIVACY NOTICE
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966