CHEMBL1080513


SMILES O=c1[nH]c(=O)c2cc(-c3ccncn3)c(-c3ccco3)nc2[nH]1
InChIKey VYTAHRSDFGGCON-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 2
Molecular weight (Da) 307.1

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
A2B AA2BR Human Adenosine A pKi 9.0 9.0 9.0 ChEMBL
A3 AA3R Human Adenosine A pKi 5.2 5.2 5.2 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.74 6.74 6.74 ChEMBL
A1 AA1R Human Adenosine A pKi 5.76 5.76 5.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database