CHEMBL1277040


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(C#Cc4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIKey QOCBWLXZAWZBSS-QCUYGVNKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 2
Molecular weight (Da) 394.1

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
A3 AA3R Human Adenosine A pKi 8.14 8.14 8.14 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.75 5.75 5.75 ChEMBL
A1 AA1R Human Adenosine A pKi 5.41 5.41 5.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database