CHEMBL5181821


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCCc4ccc(OC)c(O)c4)nc(OC)nc31)[C@H](O)[C@@H]2O
InChIKey GJBHTDNKZRHMMV-BGCLTTEDSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 484.2

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 Mouse Adenosine A pKi 8.27 8.27 8.27 ChEMBL
A3 AA3R Human Adenosine A pKi 8.41 8.41 8.41 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.99 4.99 4.99 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 7.3 7.36 7.42 ChEMBL