CHEMBL592752


SMILES Cc1ccc2c(c1)c1c(n2CCc2ccccc2)CCN(C)C1
InChIKey IBUHDDLETPJVGP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 304.2

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 Human 5-Hydroxytryptamine A pKi 9.6 9.74 9.81 ChEMBL
H1 HRH1 Human Histamine A pKi 9.24 9.24 9.24 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.72 7.72 7.72 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 8.7 8.7 8.7 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pKi 8.52 8.77 8.92 ChEMBL
5-HT2C 5HT2C Human 5-Hydroxytryptamine A pKi 8.92 8.92 8.92 ChEMBL
5-HT2A 5HT2A Human 5-Hydroxytryptamine A pKi 8.7 8.85 8.92 ChEMBL
D2 DRD2 Human Dopamine A pKi 7.07 7.07 7.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
H1 HRH1 Human Histamine A pIC50 6.84 7.12 7.4 ChEMBL
5-HT6 5HT6R Human 5-Hydroxytryptamine A pIC50 6.8 6.8 6.8 ChEMBL