CHEMBL3596517


SMILES COc1cccc2c1nc(N)n1nc(CN3CCN(c4sc(C)nc4C)C[C@H]3C)nc21
InChIKey SBASPANLGYDWOU-GFCCVEGCSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 438.2

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
A2A AA2AR Human Adenosine A pKi 8.85 8.85 8.85 ChEMBL
A1 AA1R Human Adenosine A pKi 5.72 5.72 5.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database