SB 221284   Click here for help

GtoPdb Ligand ID: 191

Synonyms: SB-221284 | SB221284
Compound class: Synthetic organic
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 4
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 70.53
Molecular weight 353.08
XLogP 2.88
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1
Isomeric SMILES CSc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cccnc1
InChI InChI=1S/C16H14F3N3OS/c1-24-14-7-10-4-6-22(13(10)8-12(14)16(17,18)19)15(23)21-11-3-2-5-20-9-11/h2-3,5,7-9H,4,6H2,1H3,(H,21,23)
Selectivity at GPCRs
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
5-HT2C receptor Hs Antagonist Antagonist 8.7 pKi - 1
pKi 8.7 [1]
5-HT2B receptor Hs Antagonist Antagonist 8.6 pKi - 1
pKi 8.6 [1]
5-HT2A receptor Hs Antagonist Antagonist 6.3 pKi - 1
pKi 6.3 [1]