CHEMBL336161


SMILES CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1
InChIKey OQFCXJDXHCDLHX-LLVKDONJSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 3
Rotatable bonds 3
Molecular weight (Da) 309.1

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
α1B ADA1B Golden hamster Adrenoceptors A pKi 5.55 5.55 5.55 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 7.76 7.76 7.76 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.65 8.65 8.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Rat Adrenoceptors A pEC50 6.73 6.73 6.73 ChEMBL
α1A ADA1A Rat Adrenoceptors A pEC50 8.28 8.28 8.28 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 8.25 8.25 8.25 ChEMBL