CHEMBL223740


SMILES CONc1nc(C#Cc2ccc(C(N)=O)cc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey FTCVSTIHSVFDEB-VXHCAWKWSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 440.1

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
A1 AA1R Human Adenosine A pKi 6.04 6.04 6.04 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.5 5.5 5.5 ChEMBL
A3 AA3R Human Adenosine A pKi 8.28 8.28 8.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database