CHEMBL564473


SMILES COCc1cccc(CNC(=O)c2cc(-c3ccco3)nc(N)n2)n1
InChIKey MNNAJXPKIBKJNB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 339.1

Drug properties

Molecular type Small molecule
Endogenous/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 6.34 6.34 6.34 ChEMBL
A3 AA3R Human Adenosine A pKi 5.76 5.76 5.76 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.77 8.77 8.77 ChEMBL
A1 AA1R Human Adenosine A pKi 7.38 7.38 7.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database