SNAP 37889   Click here for help

GtoPdb Ligand ID: 6126

Synonyms: HT 2157 | HT-2157
Compound class: Synthetic organic
Comment: This compound is represented on ChEMBL by the entry CHEMBL210288 which specified stereochemistry around the double bond.
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 0
Rotatable bonds 3
Topological polar surface area 32.67
Molecular weight 366.1
XLogP 4.88
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1ccccc1)cccc2
Isomeric SMILES O=C1C(=Nc2cccc(c2)C(F)(F)F)c2c(N1c1ccccc1)cccc2
InChI InChI=1S/C21H13F3N2O/c22-21(23,24)14-7-6-8-15(13-14)25-19-17-11-4-5-12-18(17)26(20(19)27)16-9-2-1-3-10-16/h1-13H
1. Konkel MJ, Lagu B, Boteju LW, Jimenez H, Noble S, Walker MW, Chandrasena G, Blackburn TP, Nikam SS, Wright JL et al.. (2006)
3-arylimino-2-indolones are potent and selective galanin GAL3 receptor antagonists.
J Med Chem, 49 (13): 3757-8. [PMID:16789730]
2. Konkel MJ, Packiarajan M, Chen H, Topiwala UP, Jimenez H, Talisman IJ, Coate H, Walker MW. (2006)
Amino substituted analogs of 1-phenyl-3-phenylimino-2-indolones with potent galanin Gal3 receptor binding affinity and improved solubility.
Bioorg Med Chem Lett, 16 (15): 3950-4. [PMID:16730981]
3. Swanson CJ, Blackburn TP, Zhang X, Zheng K, Xu ZQ, Hökfelt T, Wolinsky TD, Konkel MJ, Chen H, Zhong H et al.. (2005)
Anxiolytic- and antidepressant-like profiles of the galanin-3 receptor (Gal3) antagonists SNAP 37889 and SNAP 398299.
Proc Natl Acad Sci USA, 102 (48): 17489-94. [PMID:16287967]