CHEMBL71479


SMILES Cc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1
InChIKey NIILDWZATWLEEZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 267.1

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 Human Adrenoceptors A pKi 5.46 5.46 5.46 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.32 5.32 5.32 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.11 6.11 6.11 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.41 5.41 5.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pEC50 6.85 6.85 6.85 ChEMBL
α2C ADA2C Human Adrenoceptors A pEC50 5.95 5.95 5.95 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 8.71 8.71 8.71 ChEMBL