CHEMBL1788223


SMILES COc1ccccc1N1CCN(C[C@H]2CN=C3c4ccccc4N=C(SC)N32)CC1
InChIKey DVYBIZHLZSDANU-QGZVFWFLSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 421.2

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 Rat Adrenoceptors A pKi 8.85 8.85 8.85 ChEMBL
α2B ADA2B Human Adrenoceptors A pKi 6.42 6.42 6.42 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 8.82 8.82 8.82 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 6.06 6.06 6.06 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database