CHEMBL599387


SMILES CCc1cnn([C@H]2C[C@@H](n3cnc4c(N)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)c1
InChIKey AWTFOQMQANRSHW-WRJHFWDFSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 478.2

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 6.74 6.74 6.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 6.11 6.11 6.11 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.21 7.21 7.21 ChEMBL