CHEMBL71001


SMILES COc1ccc(S(C)(=O)=O)c(NCC2=NCCN2)c1
InChIKey WURKOHONKFWQNR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 283.1

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 Human Adrenoceptors A pKi 5.34 5.34 5.34 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 5.79 5.79 5.79 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 5.12 5.12 5.12 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.44 5.44 5.44 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1A ADA1A Human Adrenoceptors A pEC50 7.85 7.88 7.9 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 5.48 5.48 5.48 ChEMBL