CHEMBL4168980


SMILES COc1ccccc1CNc1nc(N)c2nc(-c3ccc(C)o3)sc2n1
InChIKey IAFSTXHYDXRWLE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 367.1

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 6.85 6.85 6.85 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.7 7.7 7.7 ChEMBL
A1 AA1R Human Adenosine A pKi 7.54 7.54 7.54 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.41 6.41 6.41 ChEMBL