CHEMBL3414941


SMILES CCn1nnc([C@H]2O[C@@H](n3cnc4c(NC5CC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey IRRXNCFETDOCCQ-AEISUSGSSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 407.1

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 8.41 8.88 9.34 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.56 6.88 7.21 ChEMBL
A1 AA1R Human Adenosine A pKi 9.27 9.39 9.51 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 5.94 6.05 6.17 ChEMBL
A3 AA3R Human Adenosine A pEC50 7.4 7.62 7.85 ChEMBL
A2A AA2AR Human Adenosine A pEC50 7.67 7.97 8.28 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.14 8.29 8.44 ChEMBL