SETOPERONE


SMILES Cc1nc2n(c(=O)c1CCN1CCC(C(=O)c3ccc(F)cc3)CC1)CCS2
InChIKey RBGAHDDQSRBDOG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 0
Rotatable bonds 5
Molecular weight (Da) 401.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Rat Adrenoceptors A pKi 7.92 7.92 7.92 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.62 7.62 7.62 ChEMBL
5-HT2C K7GSR7 Pig 5-Hydroxytryptamine A pKi 7.3 7.3 7.3 PDSP Ki database
5-HT1B 5HT1B Rat 5-Hydroxytryptamine A pKi 5.3 5.3 5.3 PDSP Ki database
5-HT2A 5HT2A Rat 5-Hydroxytryptamine A pKi 9.37 9.37 9.37 PDSP Ki database
D3 DRD3 Rat Dopamine A pKi 6.97 6.97 6.97 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database