CHEMBL111771


SMILES CCS(=O)(=O)Nc1cccc2c1CCC2c1c[nH]cn1
InChIKey PIXGULLHGNRWSP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 291.1

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
α2B ADA2B Rat Adrenoceptors A pKi 6.73 6.73 6.73 ChEMBL
α1B ADA1B Golden hamster Adrenoceptors A pKi 5.7 5.7 5.7 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 6.01 6.01 6.01 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.65 7.65 7.65 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 7.01 7.01 7.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Rabbit Adrenoceptors A pEC50 7.18 7.18 7.18 ChEMBL