CHEMBL4454157


SMILES Nc1nc(N/N=C/c2cccnc2Cl)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey CJUIJRFDRPPWHP-DBBDEIFASA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 420.1

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 8.06 8.06 8.06 ChEMBL
A1 AA1R Human Adenosine A pKi 8.34 8.34 8.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 8.34 8.34 8.34 ChEMBL