CHEMBL4293999


SMILES O=C(CCCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2c3c(c1)CCN3C(=O)CC2
InChIKey ACOZPXLCYUQMHS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 7
Molecular weight (Da) 475.2

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
5-HT7 5HT7R Rat 5-Hydroxytryptamine A pKi 6.65 6.65 6.65 ChEMBL
D3 DRD3 Rat Dopamine A pKi 8.78 8.78 8.78 ChEMBL
5-HT2C 5HT2C Rat 5-Hydroxytryptamine A pKi 6.21 6.21 6.21 ChEMBL
D1 DRD1 Rat Dopamine A pKi 7.11 7.11 7.11 ChEMBL
H1 HRH1 Human Histamine A pKi 6.2 6.2 6.2 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.26 8.26 8.26 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 6.21 6.21 6.21 ChEMBL
D3 DRD3 Human Dopamine A pKi 8.78 8.78 8.78 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 9.14 9.14 9.14 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 8.07 8.07 8.07 ChEMBL
H1 HRH1 Guinea pig Histamine A pKi 6.2 6.2 6.2 ChEMBL
D2 DRD2 Rat Dopamine A pKi 8.54 8.54 8.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 6.75 6.75 6.75 ChEMBL
D3 DRD3 Human Dopamine A pIC50 7.59 7.59 7.59 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pIC50 6.59 6.59 6.59 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pIC50 6.23 6.23 6.23 ChEMBL
D2 DRD2 Human Dopamine A pIC50 8.04 8.04 8.04 ChEMBL
D1 DRD1 Human Dopamine A pIC50 6.44 6.44 6.44 ChEMBL