CHEMBL302021


SMILES COc1ccccc1N1CCN(CC2CN3C(=O)Nc4ccccc4C3=N2)CC1
InChIKey ZAKQYSXDZKMEJJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 391.2

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 6.02 6.02 6.02 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 8.26 8.26 8.26 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.19 9.19 9.19 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.6 6.6 6.6 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.62 6.62 6.62 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.26 6.26 6.26 ChEMBL
D3 DRD3 Human Dopamine A pKi 5.66 5.66 5.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database