CHEMBL283057


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey GOFNEDUSCHPEBQ-RGUAOFKASA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 352.1

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
A2A AA2AR Mouse Adenosine A pKi 4.69 4.69 4.69 ChEMBL
A1 AA1R Mouse Adenosine A pKi 7.26 7.26 7.26 ChEMBL
A3 AA3R Mouse Adenosine A pKi 7.31 7.31 7.31 ChEMBL
A3 AA3R Rat Adenosine A pKi 6.8 6.8 6.8 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.09 6.09 6.09 ChEMBL
A3 AA3R Human Adenosine A pKi 8.21 8.51 8.66 ChEMBL
A1 AA1R Human Adenosine A pKi 5.68 5.68 5.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 4.59 4.59 4.59 ChEMBL