CHEMBL2092927


SMILES COc1ccccc1N1CCN(C[C@@H]2CN=C3c4ccccc4N=C(SC)N32)CC1
InChIKey DVYBIZHLZSDANU-KRWDZBQOSA-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 6.18 6.18 6.18 ChEMBL
α1A ADA1A Rat Adrenoceptors A pKi 6.91 6.91 6.91 ChEMBL
α2A ADA2A Human Adrenoceptors A pKi 5.52 5.52 5.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database