CHEMBL6169053


SMILES CCCCC#Cc1nc(N)c2nc(-c3ccccc3)n([C@H]3[C@H](O)[C@H](O)[C@@H]4C[C@@H]43)c2n1
InChIKey NYTAEGSTZWATJJ-VNEALKQTSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 4
Molecular weight (Da) 403.2

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
A3 AA3R Human Adenosine A pKi 6.8 6.8 6.8 ChEMBL
A1 AA1R Human Adenosine A pKi 7.6 7.6 7.6 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.27 7.27 7.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database