CHEMBL5180010


SMILES Cn1nc(NC(=O)CNc2ccccc2)c2cc(Nc3ccccc3)ncc21
InChIKey LABUOQVBWAXPSG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 372.2

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 7.05 7.08 7.11 ChEMBL
A3 AA3R Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
A1 AA1R Human Adenosine A pKd 6.4 6.4 6.4 ChEMBL
A1 AA1R Human Adenosine A pKi 6.53 6.53 6.53 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.91 7.91 7.91 ChEMBL
A1 AA1R Human Adenosine A pIC50 8.58 8.58 8.58 ChEMBL