CHEMBL278996


SMILES Nc1nc2c(cnn2CCCc2ccc3c(c2)OC(C(=O)O)(C(=O)O)O3)c2nc(-c3ccco3)nn12
InChIKey XAJRAZXSOMHMEV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 3
Rotatable bonds 7
Molecular weight (Da) 491.1

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
A2A AA2AR Human Adenosine A pKi 6.92 6.92 6.92 ChEMBL
A1 AA1R Human Adenosine A pKi 5.02 5.03 5.03 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database