CHEMBL2112778


SMILES COc1cccc(C2CCC(N3CCN(c4ccccn4)CC3)CC2)c1
InChIKey SHEZXZSIBXLQMP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 351.2

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 Human Adrenoceptors A pKi 7.28 7.28 7.28 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.93 6.93 6.93 ChEMBL
D2 DRD2 Rat Dopamine A pKi 5.66 5.66 5.66 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 7.48 7.48 7.48 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 6.09 8.32 10.55 ChEMBL
5-HT1A 5HT1A Human 5-Hydroxytryptamine A pKi 9.7 9.7 9.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database