CHEMBL232100


SMILES CCNC(=O)c1cnn(-c2nc(N[C@H]3CCCO3)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
InChIKey DAAJKUPTRGODPS-FSVZYJJUSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 474.2

Drug properties

Molecular type Small molecule
Endogenous/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 6.88 6.88 6.88 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.85 5.85 5.85 ChEMBL
A1 AA1R Human Adenosine A pKi 8.0 8.0 8.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database