CHEMBL201157


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)(C)C(=O)Nc4ccccc4)cc3)cc2n(CCC)c1=O
InChIKey JDLAMKGHPDKFSU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 9
Molecular weight (Da) 488.2

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
A2B AA2BR Human Adenosine A pKi 8.1 8.1 8.1 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.27 7.27 7.27 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database