CHEMBL1094143


SMILES O=C(Nc1nc(-c2ccccc2)nc2nn(Cc3ccccc3)cc12)c1ccccc1
InChIKey ACNFYYUXBQGWQL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 405.2

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 pKi 8.52 8.52 8.52 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.74 6.74 6.74 ChEMBL
A1 AA1R Human Adenosine A pKi 7.28 7.28 7.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.57 6.57 6.57 ChEMBL
A3 AA3R Human Adenosine A pIC50 7.28 7.28 7.28 ChEMBL