GT-0198   Click here for help

GtoPdb Ligand ID: 11297

Synonyms: GT0198
Compound class: Synthetic organic
Comment: GT-0198 is a glycine transporter 2 (GlyT2) inhibitor [1]. It is active in vivo, producing an analgesic effect in a mouse model of neuropathic pain.
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 1
Rotatable bonds 7
Topological polar surface area 41.57
Molecular weight 392.17
XLogP 4.37
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CN1CCC(CC1)NC(=O)c1ccc(cc1)COc1ccc(cc1)C(F)(F)F
Isomeric SMILES CN1CCC(CC1)NC(=O)c1ccc(cc1)COc1ccc(cc1)C(F)(F)F
InChI InChI=1S/C21H23F3N2O2/c1-26-12-10-18(11-13-26)25-20(27)16-4-2-15(3-5-16)14-28-19-8-6-17(7-9-19)21(22,23)24/h2-9,18H,10-14H2,1H3,(H,25,27)
Selectivity at transporters
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
GlyT2 Hs Inhibitor Inhibition 8.8 pIC50 - 1
pIC50 8.8 (IC50 1.6x10-9 M) [1]