CHEMBL1170367


SMILES CCN(C(C)=O)c1ccc(OC)c2nc(NC(=O)c3ccnn3C)sc12
InChIKey CPBGMRFHFZVCLS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 373.1

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 8.1 8.1 8.1 ChEMBL
A3 AA3R Human Adenosine A pKi 7.1 7.1 7.1 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.29 7.29 7.29 ChEMBL
A1 AA1R Human Adenosine A pKi 7.0 7.0 7.0 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.68 7.68 7.68 ChEMBL