pimavanserin


SMILES CC(COc1ccc(cc1)CNC(=O)N(C1CCN(CC1)C)Cc1ccc(cc1)F)C
InChIKey RKEWSXXUOLRFBX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 8
Molecular weight (Da) 427.3

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8ZMG
Ligand site mutations 5-HT2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.3 9.3 9.3 Guide to Pharmacology
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.82 8.82 8.82 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.3 9.3 9.3 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.03 8.03 8.03 Drug Central
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.06 8.06 8.06 Drug Central
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.3 7.86 8.73 ChEMBL