CHEMBL2113605


SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CSCC)[C@@H](O)[C@H]3O)c2n1
InChIKey PDLNCCQPLZYMLF-XKLVTHTNSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 391.2

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 Rat Adenosine A pKi 6.96 6.96 6.96 ChEMBL
A1 AA1R Rat Adenosine A pKi 5.66 5.66 5.66 ChEMBL
A3 AA3R Human Adenosine A pKi 7.49 7.49 7.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 6.3 6.3 6.3 ChEMBL