CHEMBL70691


SMILES COc1ccc(SC)c(NCC2=NCCN2)c1
InChIKey NMTCRDZBJDXVCH-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 251.1

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 6.16 6.16 6.16 ChEMBL
α1D ADA1D Human Adrenoceptors A pKi 6.97 6.97 6.97 ChEMBL
α2C ADA2C Human Adrenoceptors A pKi 6.22 6.22 6.22 ChEMBL
α1A ADA1A Human Adrenoceptors A pKi 6.76 6.76 6.76 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.66 6.66 6.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
α1B ADA1B Human Adrenoceptors A pEC50 8.44 8.44 8.44 ChEMBL
α1D ADA1D Human Adrenoceptors A pEC50 8.3 8.3 8.3 ChEMBL
α1A ADA1A Human Adrenoceptors A pEC50 8.8 8.8 8.8 ChEMBL
α2A ADA2A Human Adrenoceptors A pEC50 6.35 6.53 6.7 ChEMBL