GW9508   Click here for help

GtoPdb Ligand ID: 1050

Synonyms: GW 9508 | GW-9508
Compound class: Synthetic organic
Comment: GW9508 is a free fatty acid receptor (FFA1R, GPR40) partial agonist with a range of in vivo effects.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 58.56
Molecular weight 347.15
XLogP 4.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Click here for help
Canonical SMILES OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1
Isomeric SMILES OC(=O)CCc1ccc(cc1)NCc1cccc(c1)Oc1ccccc1
InChI InChI=1S/C22H21NO3/c24-22(25)14-11-17-9-12-19(13-10-17)23-16-18-5-4-8-21(15-18)26-20-6-2-1-3-7-20/h1-10,12-13,15,23H,11,14,16H2,(H,24,25)
InChI Key DGENZVKCTGIDRZ-UHFFFAOYSA-N
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
FFA1 receptor Hs Agonist Partial agonist 7.3 pEC50 - 1
pEC50 7.3 [1]
FFA4 receptor Hs Agonist Partial agonist 5.5 pEC50 - 1-2
pEC50 5.5 [1-2]