CHEMBL5186062


SMILES Cn1nc(NC(=O)c2ccccc2)c2cc(Nc3ccccc3)ncc21
InChIKey YLOYXGAZLBJFMU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 343.1

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
A3 AA3R Human Adenosine A pKd 6.77 6.77 6.77 ChEMBL
A3 AA3R Human Adenosine A pKi 6.63 6.63 6.63 ChEMBL
A1 AA1R Human Adenosine A pKd 6.07 6.07 6.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.17 8.17 8.17 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.3 8.3 8.3 ChEMBL