CHEMBL4450312


SMILES Nc1nc(-c2cc(O)c(O)c(O)c2)cn2c(=O)n(-c3ccccc3)nc12
InChIKey ZXNLEZIGIRYUMA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 2
Molecular weight (Da) 351.1

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
A3 AA3R Human Adenosine A pKi 5.25 5.25 5.25 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.03 7.03 7.03 ChEMBL
A1 AA1R Human Adenosine A pKi 6.76 6.76 6.76 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 4.76 4.76 4.76 ChEMBL