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) .
Click here for help
IUPHAR Pharmacology Education Project (PEP) logo

View more information in the IUPHAR Pharmacology Education Project: pimavanserin

2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
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
Click here for help
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)
Classification Click here for help
Compound class Synthetic organic
Approved drug? Yes (FDA (2016))
IUPAC Name Click here for help
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
Specialist databases
GPCRdb Ligand pimavanserin
Other databases
CAS Registry No. 706779-91-1
ChEMBL Ligand CHEMBL2111101
DrugCentral Ligand 5142
GtoPdb PubChem SID 252166633
PubChem CID 10071196
Search Google for chemical match using the InChIKey RKEWSXXUOLRFBX-UHFFFAOYSA-N
Search Google for chemicals with the same backbone RKEWSXXUOLRFBX
Search PubMed clinical trials pimavanserin
Search PubMed titles pimavanserin
Search PubMed titles/abstracts pimavanserin
UniChem Compound Search for chemical match using the InChIKey RKEWSXXUOLRFBX-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RKEWSXXUOLRFBX-UHFFFAOYSA-N
Wikipedia Pimavanserin