pimavanserin   Click here for help

GtoPdb Ligand ID: 8423

Synonyms: ACP 103 | ACP-103 | Nuplazid (proposed trade name)
Approved drug
pimavanserin is an approved drug (FDA (2016))
Compound class: Synthetic organic
Comment: Pimavanserin is an inverse agonist of the serotonin 5-HT2A receptor [4]. Pharmaceutical formulations contain pimavanserin tartrate (PubChem CID 67017013) .
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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 10
Topological polar surface area 44.81
Molecular weight 427.26
XLogP 4.46
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C
Isomeric SMILES CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C
InChI InChI=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)
InChI Key RKEWSXXUOLRFBX-UHFFFAOYSA-N
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2016))
IUPAC Name Click here for help
1-[(4-fluorophenyl)methyl]-1-(1-methylpiperidin-4-yl)-3-[[4-(2-methylpropoxy)phenyl]methyl]urea
International Nonproprietary Names Click here for help
INN number INN
8877 pimavanserin
Synonyms Click here for help
ACP 103 | ACP-103 | Nuplazid (proposed trade name)
Database Links Click here for help
CAS Registry No. 706779-91-1
ChEMBL Ligand CHEMBL2111101
DrugCentral Ligand 5142
GtoPdb PubChem SID 252166633
PubChem CID 10071196
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Wikipedia Pimavanserin