CHEMBL2112163


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NC4CC4c4ccccc4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey VAIQCVDAELUCHP-AGUANMGMSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 454.2

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
A2A AA2AR Mouse Adenosine A pKi 4.42 4.42 4.42 ChEMBL
A1 AA1R Mouse Adenosine A pKi 8.18 8.18 8.18 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.55 8.55 8.55 ChEMBL
A3 AA3R Human Adenosine A pKi 9.11 9.11 9.11 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.32 5.32 5.32 ChEMBL
A1 AA1R Human Adenosine A pKi 6.11 6.11 6.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database