CHEMBL1172442


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

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 9
Molecular weight (Da) 484.2

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 7.89 7.89 7.89 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.58 7.58 7.58 ChEMBL
A1 AA1R Human Adenosine A pKi 6.75 6.75 6.75 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.89 7.89 7.89 ChEMBL