CHEMBL3407774


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(C#Cc4cnccn4)nc31)[C@H](O)[C@@H]2O
InChIKey HJBSZHIETZPEQW-NQWXTVAOSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 420.2

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 Mouse Adenosine A pKi 7.17 7.17 7.17 ChEMBL
A3 AA3R Human Adenosine A pKi 8.75 8.75 8.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Mouse Adenosine A pEC50 9.49 9.49 9.49 ChEMBL
A3 AA3R Human Adenosine A pEC50 8.84 8.84 8.84 ChEMBL