CHEMBL4128190


SMILES COc1ccccc1CNc1nc(N)c2nc(-c3cnccn3)sc2n1
InChIKey CWJBGKDKRPFHJM-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 365.1

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 6.14 6.14 6.14 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.1 7.1 7.1 ChEMBL
A1 AA1R Human Adenosine A pKi 6.95 6.95 6.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.4 5.4 5.4 ChEMBL