CHEMBL111496


SMILES CCS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1
InChIKey DWUSTUPZNLOYSI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 305.1

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 5.77 5.77 5.77 ChEMBL
α1B ADA1B Golden hamster Adrenoceptors A pKi 5.16 5.52 5.88 ChEMBL
α1D ADA1D Rat Adrenoceptors A pKi 5.78 5.88 5.97 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 7.02 7.17 7.33 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.88 6.88 6.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Rabbit Adrenoceptors A pEC50 6.2 6.2 6.2 ChEMBL