CHEMBL3596518


SMILES COc1cccc2c1nc(N)n1nc(CN3CCN(c4nsnc4Cl)C[C@H]3C)nc21
InChIKey LAFTYKBPQFGFAN-SNVBAGLBSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 445.1

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
A2A AA2AR Human Adenosine A pKi 8.28 8.28 8.28 ChEMBL
A1 AA1R Human Adenosine A pKi 5.9 5.9 5.9 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database