CHEMBL51433


SMILES COc1ccccc1N1CCN(CCn2c(=O)[nH]c3ccccc3c2=O)CC1
InChIKey ZFDWAPWETDMDSZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 380.2

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 6.16 6.16 6.16 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 8.96 8.96 8.96 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.3 9.3 9.3 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 7.25 7.25 7.25 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 7.8 7.8 7.8 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.74 5.74 5.74 ChEMBL
D3 DRD3 Human Dopamine A pKi 7.14 7.14 7.14 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.88 7.19 7.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database