CHEMBL62033


SMILES COc1cccc2c1CC[C@H]1CN(CCn3c(=O)[nH]c4cc(C#N)ccc4c3=O)C[C@@H]21
InChIKey AROSMOXZDJFPHJ-OXJNMPFZSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 416.2

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 pKd 7.73 7.73 7.73 ChEMBL
α1B ADA1B Human Adrenoceptors A pKi 8.81 8.81 8.81 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 10.05 10.05 10.05 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 8.83 8.83 8.83 ChEMBL
α1A ADA1A Human Adrenoceptors A pKd 9.83 9.83 9.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database