CHEMBL5567879


SMILES CCCCC#Cc1nc(N)c2nc(C#CCCCC)n([C@@H]3OC[C@@H](O)[C@H]3O)c2n1
InChIKey YUNNAJMEEYCJEH-CFCCAZDESA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 397.2

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 8.44 8.44 8.44 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.88 6.88 6.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database