SB 228357   Click here for help

GtoPdb Ligand ID: 192

Synonyms: SB-228357 | SB228357
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 54.46
Molecular weight 431.13
XLogP 4.16
No. Lipinski's rules broken 0
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Canonical SMILES COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1
Isomeric SMILES COc1cc2CCN(c2cc1C(F)(F)F)C(=O)Nc1cc(F)cc(c1)c1cccnc1
InChI InChI=1S/C22H17F4N3O2/c1-31-20-9-13-4-6-29(19(13)11-18(20)22(24,25)26)21(30)28-17-8-15(7-16(23)10-17)14-3-2-5-27-12-14/h2-3,5,7-12H,4,6H2,1H3,(H,28,30)
1. Bromidge SM, Dabbs S, Davies DT, Davies S, Duckworth DM, Forbes IT, Gaster LM, Ham P, Jones GE, King FD et al.. (2000)
Biarylcarbamoylindolines are novel and selective 5-HT(2C) receptor inverse agonists: identification of 5-methyl-1-[[2-[(2-methyl-3-pyridyl)oxy]- 5-pyridyl]carbamoyl]-6-trifluoromethylindoline (SB-243213) as a potential antidepressant/anxiolytic agent.
J Med Chem, 43 (6): 1123-34. [PMID:10737744]
2. Reavill C, Kettle A, Holland V, Riley G, Blackburn TP. (1999)
Attenuation of haloperidol-induced catalepsy by a 5-HT2C receptor antagonist.
Br J Pharmacol, 126 (3): 572-4. [PMID:10188965]