CHEMBL589080


SMILES COc1cc(-c2nc(NC(C)=O)sc2-c2ccncc2)cc(OC)c1OC
InChIKey VDJVLRLNAOFIPW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 385.1

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 5.5 5.5 5.5 ChEMBL
A3 AA3R Human Adenosine A pKi 9.39 9.4 9.4 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 9.4 9.4 9.4 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database