CHEMBL17141


SMILES CCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(CC(=O)NCCN)cc4)cc3)[nH]c2n(CC)c1=O
InChIKey QRADBULGJNAUOV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 11
Molecular weight (Da) 533.2

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 Rat Adenosine A pKi 5.86 5.86 5.86 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.19 7.39 7.6 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.82 7.82 7.82 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database