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CHEBI:133017 - pimavanserin

Default Structure
ChEBI IDCHEBI:133017
ChEBI Namepimavanserin
Stars
DefinitionA member of the class of ureas in which three of the four hydrogens are replaced by 4-fluorobenzyl, 1-methylpiperidin-4-yl, and 4-(isopropyloxy)benzyl groups. An atypical antipsychotic that is used (in the form of its tartrate salt) for treatment of hallucinations and delusions associated with Parkinson's disease.
Last Modified22 February 2017
SubmitterSteve
DownloadsMolfile
FormulaC25H34FN3O2
Net Charge0
Average Mass427.564
Monoisotopic Mass427.26351
SMILESCC(C)COc1ccc(CNC(=O)N(Cc2ccc(F)cc2)C2CCN(C)CC2)cc1
InChIInChI=1S/C25H34FN3O2/c1-19(2)18-31-24-10-6-20(7-11-24)16-27-25(30)29(23-12-14-28(3)15-13-23)17-21-4-8-22(26)9-5-21/h4-11,19,23H,12-18H2,1-3H3,(H,27,30)
InChIKeyRKEWSXXUOLRFBX-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Roles:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
5-hydroxytryptamine 2A receptor inverse agonist  An inverse agonist that binds to the same receptor as a 5-hydroxytryptamine 2A receptor agonist, but which induces a pharmacological response opposite to that agonist.
Applications:
serotonergic antagonist  Drugs that bind to but do not activate serotonin receptors, thereby blocking the actions of serotonin or serotonergic agonists.
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
ChEBI Ontology
Outgoing Relation(s)
pimavanserin (CHEBI:133017) has role 5-hydroxytryptamine 2A receptor inverse agonist (CHEBI:133016)
pimavanserin (CHEBI:133017) has role antipsychotic agent (CHEBI:35476)
pimavanserin (CHEBI:133017) has role serotonergic antagonist (CHEBI:48279)
pimavanserin (CHEBI:133017) is a aromatic ether (CHEBI:35618)
pimavanserin (CHEBI:133017) is a monofluorobenzenes (CHEBI:83575)
pimavanserin (CHEBI:133017) is a piperidines (CHEBI:26151)
pimavanserin (CHEBI:133017) is a tertiary amino compound (CHEBI:50996)
pimavanserin (CHEBI:133017) is a ureas (CHEBI:47857)
pimavanserin (CHEBI:133017) is conjugate base of pimavanserin(1+) (CHEBI:133020)
Incoming Relation(s)
pimavanserin(1+) (CHEBI:133020) is conjugate acid of pimavanserin (CHEBI:133017)
IUPAC Name 
N-[(4-fluorophenyl)methyl]-N-(1-methylpiperidin-4-yl)-N'-{[4-(2-methylpropoxy)phenyl]methyl}urea
INN  Source
pimavanserinChemIDplus
Synonym  Source
N-(4-Fluorophenylmethyl)-N-(1-methylpiperidin-4-yl)-N'-(4-(2-methylpropyloxy)phenylmethyl) carbamideChemIDplus
Manual XrefsDatabases
5142DrugCentral
CA2652300Patent
PimavanserinWikipedia
Registry NumbersSources
Reaxys:10386699Reaxys
CAS:706779-91-1ChemIDplus
Citations