CHEMBL111734


SMILES CCS(=O)(=O)Nc1cccc(Cc2c[nH]cn2)c1C
InChIKey HZHOPJIZCQDHMZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 279.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Golden hamster Adrenoceptors A pKi 5.09 5.09 5.09 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 6.0 6.0 6.0 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKd 5.23 5.23 5.23 ChEMBL
α1B ADA1B Rat Adrenoceptors A pKd 4.82 4.82 4.82 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.89 6.89 6.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Rabbit Adrenoceptors A pEC50 5.6 5.6 5.6 ChEMBL