CHEMBL505977


SMILES Nc1nc(-c2ccco2)c2nnn(Cc3ccc([N+](=O)[O-])cc3)c2n1
InChIKey VDEXMQKDCJCISX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 337.1

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
A2B AA2BR Human Adenosine A pKi 6.36 6.36 6.36 ChEMBL
A3 AA3R Human Adenosine A pKi 5.91 5.91 5.91 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.55 7.55 7.55 ChEMBL
A1 AA1R Human Adenosine A pKi 6.11 6.11 6.11 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database