CHEMBL131495


SMILES O=C1c2ccccc2C(=O)N1CCCCN1CC=C(c2c[nH]c3ccc(F)cc23)CC1
InChIKey NECJNLXOJRDELU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 417.2

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
H1 HRH1 Guinea pig Histamine A pKi 7.5 7.5 7.5 ChEMBL
5-HT7 5HT7R Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 ChEMBL
D4 DRD4 Human Dopamine A pKi 7.1 7.1 7.1 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 6.4 6.4 6.4 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 8.8 8.8 8.8 ChEMBL
D3 DRD3 Human Dopamine A pKi 9.1 9.1 9.1 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 7.0 7.0 7.0 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 8.6 8.6 8.6 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.8 8.15 8.5 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 7.4 7.4 7.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database