CHEMBL76168


SMILES COc1ccc(C)cc1N1CCN(CCCNc2cc(=O)n(C)c(=O)n2C)CC1
InChIKey RAWLZBUZFGOUJJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 401.2

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
α1D ADA1D Rat Adrenoceptors A pKi 6.76 6.76 6.76 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKi 6.66 6.66 6.66 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.8 8.8 8.8 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.33 8.33 8.33 ChEMBL
D2 DRD2 Rat Dopamine A pKi 6.03 6.03 6.03 ChEMBL
5-HT1A 5HT1A Rat 5-Hydroxytryptamine A pKi 8.92 8.92 8.92 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 8.7 8.7 8.7 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database