CHEMBL4289498


SMILES O=C(CCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2c3c(c1)CCN3C(=O)CC2
InChIKey LFATXWJLBURBCJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 6
Molecular weight (Da) 461.2

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
D3 DRD3 Rat Dopamine A pKi 7.21 7.21 7.21 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.21 6.21 6.21 ChEMBL
H1 HRH1 Guinea pig Histamine A pKi 6.38 6.38 6.38 ChEMBL
H1 HRH1 Human Histamine A pKi 6.2 6.2 6.2 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.37 7.37 7.37 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.62 7.44 8.25 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.21 6.21 6.21 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.77 8.77 8.77 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.15 9.15 9.15 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.07 8.07 8.07 ChEMBL
D2 DRD2 Human Dopamine A pKi 8.54 8.54 8.54 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.92 7.92 7.92 ChEMBL
D2 DRD2 Rat Dopamine A pKi 7.99 7.99 7.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database