CHEMBL1171349


SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccc(-n4cnnn4)cc3)sc12
InChIKey MUHRVLKUZLOTCU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 437.1

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 7.64 7.64 7.64 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.1 7.1 7.1 ChEMBL
A1 AA1R Human Adenosine A pKi 6.89 6.89 6.89 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.55 7.55 7.55 ChEMBL