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 9UJM 8ZMG
Ligand site mutations 5-HT2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.0 8.35 8.82 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.07 9.51 10.2 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
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.3 9.3 9.3 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
GPR183 GP183 Human Orphan A pIC50 5.36 5.36 5.36 ChEMBL
CX3CR1 CX3C1 Human Chemokine A pIC50 5.49 5.49 5.49 ChEMBL
GPR35 GPR35 Human Orphan A pIC50 5.25 5.25 5.25 ChEMBL
β2 ADRB2 Human Adrenoceptors A pIC50 5.34 5.34 5.34 ChEMBL
apelin APJ Human Apelin A pIC50 5.46 5.46 5.46 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 7.1 7.85 8.73 ChEMBL