CHEMBL326702


SMILES CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1
InChIKey ROUIPNDCVDWYEH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 265.1

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 6.01 6.01 6.01 ChEMBL
α1B ADA1B Golden hamster Adrenoceptors A pKi 6.05 6.05 6.06 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 6.55 6.56 6.56 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKd 6.18 6.19 6.2 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 5.39 5.39 5.4 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.85 6.86 6.87 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKd 5.4 5.4 5.4 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.77 6.77 6.77 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Rabbit Adrenoceptors A pEC50 6.22 6.72 7.22 ChEMBL
α1B ADA1B Rat Adrenoceptors A pEC50 6.16 6.16 6.16 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 6.22 7.13 8.05 ChEMBL