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.
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2D Structure
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Physico-chemical Properties
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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
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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)
1. Omori Y, Nakajima M, Nishimura K, Takahashi E, Arai T, Akahira M, Suzuki T, Kainoh M. (2015)
Analgesic effect of GT-0198, a structurally novel glycine transporter 2 inhibitor, in a mouse model of neuropathic pain.
J Pharmacol Sci, 127 (3): 377-81. [PMID:25837937]