CHEMBL2092788


SMILES CCNc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
InChIKey JBCZHYLZMXKPBJ-KSQRGFQASA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 425.2

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
A3 AA3R Human Adenosine A pKi 9.01 9.01 9.01 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.03 7.03 7.03 ChEMBL
A1 AA1R Human Adenosine A pKi 8.57 8.57 8.57 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.77 5.77 5.77 ChEMBL