CHEMBL1744044


SMILES COc1ccccc1N1CCN(CC2CN=C3c4ccccc4N=C(SC)N32)CC1
InChIKey DVYBIZHLZSDANU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 421.2

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
α1B ADA1B Rat Adrenoceptors A pKi 8.41 8.41 8.41 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 9.03 9.03 9.03 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.62 6.62 6.62 ChEMBL
D2 DRD2 Human Dopamine A pKi 6.35 6.35 6.35 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database