CHEMBL3407784


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O
InChIKey RVLAHZAHALVQKF-AQPYCOETSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 458.1

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 Mouse Adenosine A pKi 7.44 7.44 7.44 ChEMBL
A3 AA3R Human Adenosine A pKi 6.16 8.55 9.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Dog Adenosine A pIC50 5.07 5.07 5.07 ChEMBL
A3 AA3R Mouse Adenosine A pEC50 9.22 9.22 9.22 ChEMBL
A3 AA3R Mouse Adenosine A pIC50 4.44 4.44 4.44 ChEMBL