pimavanserin

Ligand id: 8423

Name: pimavanserin

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 10
Topological polar surface area 44.81
Molecular weight 427.26
XLogP 5.03
No. Lipinski's rules broken 1

Molecular properties generated using the CDK

References
1. Friedman JH. (2013)
Pimavanserin for the treatment of Parkinson's disease psychosis.
Expert Opin Pharmacother14 (14): 1969-75. [PMID:24016069]
2. Gardell LR, Vanover KE, Pounds L, Johnson RW, Barido R, Anderson GT, Veinbergs I, Dyssegaard A, Brunmark P, Tabatabaei A et al.. (2007)
ACP-103, a 5-hydroxytryptamine 2A receptor inverse agonist, improves the antipsychotic efficacy and side-effect profile of haloperidol and risperidone in experimental models.
J. Pharmacol. Exp. Ther.322 (2): 862-70. [PMID:17519387]
3. Vanover KE, Harvey SC, Son T, Bradley SR, Kold H, Makhay M, Veinbergs I, Spalding TA, Weiner DM, Andersson CM, Tolf BR, Brann MR, Hacksell U, Davis RE. (2004)
Pharmacological characterization of AC-90179 [2-(4-methoxyphenyl)-N-(4-methyl-benzyl)-N-(1-methyl-piperidin-4-yl)-aceta mide hydrochloride]: a selective serotonin 2A receptor inverse agonist.
J Pharmacol Exp Ther310: 943-951. [PMID:15102927]
4. Vanover KE, Weiner DM, Makhay M, Veinbergs I, Gardell LR, Lameh J, Del Tredici AL, Piu F, Schiffer HH, Ott TR et al.. (2006)
Pharmacological and behavioral profile of N-(4-fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamide (2R,3R)-dihydroxybutanedioate (2:1) (ACP-103), a novel 5-hydroxytryptamine(2A) receptor inverse agonist.
J. Pharmacol. Exp. Ther.317 (2): 910-8. [PMID:16469866]