CHEMBL133451


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

Structure pdb 8THK

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Golden hamster Adrenoceptors A pKi 4.76 4.76 4.76 ChEMBL
α1A ADA1A Bovine Adrenoceptors A pKi 5.84 5.84 5.84 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.02 6.02 6.02 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Rat Adrenoceptors A pEC50 4.51 4.51 4.51 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 4.61 4.61 4.61 ChEMBL