CHEMBL3799921


SMILES Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4O)cc3n2)o1
InChIKey LEZBSAGRBMBCGD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 321.1

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
A3 AA3R Human Adenosine A pKi 6.91 6.91 6.91 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.42 7.42 7.42 ChEMBL
A1 AA1R Human Adenosine A pKi 6.96 6.96 6.96 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.4 6.4 6.4 ChEMBL