CHEMBL4745014


SMILES Nc1nc(-c2ccc(NC(=O)c3ccc(O)c(O)c3)cc2)cn2c(=O)n(-c3ccccc3)nc12
InChIKey IRLWLJZILYDDRR-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 4
Molecular weight (Da) 454.1

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 5.9 5.9 5.9 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.05 8.05 8.05 ChEMBL
A1 AA1R Human Adenosine A pKi 6.26 6.26 6.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database