CHEMBL20445


SMILES CSc1c2c(nc(N)n3nc(-c4ccco4)nc23)nn1CCCc1ccccc1
InChIKey UKNAWBIMMPPIBW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 405.1

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
A2B AA2BR Human Adenosine A pKi 7.51 7.51 7.51 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.66 7.66 7.66 ChEMBL
A1 AA1R Human Adenosine A pKi 6.76 6.76 6.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database