CHEMBL1935747


SMILES COc1ccc(NC(=O)Nc2nc3cn(C)cc3c3nc(-c4ccco4)nn23)cc1
InChIKey JCTPGWIOTVQRJJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 403.1

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
A3 AA3R Human Adenosine A pKi 7.82 7.82 7.82 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.3 6.3 6.3 ChEMBL
A1 AA1R Human Adenosine A pKi 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.08 6.08 6.08 ChEMBL
A3 AA3R Human Adenosine A pIC50 7.12 7.12 7.12 ChEMBL