CHEMBL4127472


SMILES Nc1nc(NCc2cccs2)nc2sc(-c3cnccn3)nc12
InChIKey CMLKEDYTLQARSM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 341.1

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 6.78 6.78 6.78 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.66 6.66 6.66 ChEMBL
A1 AA1R Human Adenosine A pKi 6.47 6.47 6.47 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.11 6.11 6.11 ChEMBL