CHEMBL139182


SMILES COc1ccc(NC(=O)Nc2nc3nn(CCCc4ccccc4)cc3c3nc(-c4ccco4)nn23)cc1
InChIKey OLJJUIWQSVLKJD-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 2
Rotatable bonds 8
Molecular weight (Da) 508.2

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
A1 AA1R Rat Adenosine A pKi 5.82 5.82 5.82 ChEMBL
A2B AA2BR Human Adenosine A pKi 6.1 6.1 6.1 ChEMBL
A3 AA3R Human Adenosine A pKi 4.4 7.05 7.7 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.99 6.25 7.0 ChEMBL
A1 AA1R Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 7.7 7.7 7.7 ChEMBL