CHEMBL1170129


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 447.1

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 7.72 7.72 7.72 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.04 7.04 7.04 ChEMBL
A1 AA1R Human Adenosine A pKi 6.41 6.41 6.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.44 7.44 7.44 ChEMBL