CHEMBL4290842


SMILES CNc1ncc(C(=O)OC(C)c2ccccc2)c2nc(-c3ccco3)nn12
InChIKey LGCXJBCALNIFGI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 363.1

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
A1 AA1R Human Adenosine A pKi 7.29 7.29 7.29 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.96 7.96 7.96 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.43 5.43 5.43 ChEMBL
A3 AA3R Human Adenosine A pKi 8.5 8.5 8.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database