SB 242084   Click here for help

GtoPdb Ligand ID: 193

Synonyms: SB-242,084 | SB242084
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 5
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 67.35
Molecular weight 394.12
XLogP 3.34
No. Lipinski's rules broken 0
Click here for help
Canonical SMILES O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C
Isomeric SMILES O=C(N1CCc2c1cc(Cl)c(c2)C)Nc1ccc(nc1)Oc1cccnc1C
InChI InChI=1S/C21H19ClN4O2/c1-13-10-15-7-9-26(18(15)11-17(13)22)21(27)25-16-5-6-20(24-12-16)28-19-4-3-8-23-14(19)2/h3-6,8,10-12H,7,9H2,1-2H3,(H,25,27)
1. Kennett GA, Wood MD, Bright F, Trail B, Riley G, Holland V, Avenell KY, Stean T, Upton N, Bromidge S et al.. (1997)
SB 242084, a selective and brain penetrant 5-HT2C receptor antagonist.
Neuropharmacology, 36 (4-5): 609-20. [PMID:9225286]
2. Knight AR, Misra A, Quirk K, Benwell K, Revell D, Kennett G, Bickerdike M. (2004)
Pharmacological characterisation of the agonist radioligand binding site of 5-HT(2A), 5-HT(2B) and 5-HT(2C) receptors.
Naunyn Schmiedebergs Arch Pharmacol, 370 (2): 114-23. [PMID:15322733]