CHEMBL4788488


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

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 442.1

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
A1 AA1R Mouse Adenosine A pKi 5.49 5.49 5.49 ChEMBL
A3 AA3R Mouse Adenosine A pKi 7.07 7.07 7.07 ChEMBL
A3 AA3R Human Adenosine A pKi 9.55 9.55 9.55 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.33 5.33 5.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database