CHEMBL4128787


SMILES COc1cccc(CNc2nc(N)c3nc(C)sc3n2)c1
InChIKey IFUSHKGAHYCHIQ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 301.1

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 6.18 6.18 6.18 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.67 6.67 6.67 ChEMBL
A1 AA1R Human Adenosine A pKi 6.71 6.71 6.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.45 5.45 5.45 ChEMBL