CHEMBL201028


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(OC(C)C(=O)NCc4ccc(Cl)cc4)cc3)cc2n(CCC)c1=O
InChIKey JWIJBCSHXRVNLA-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 522.2

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 8.39 8.39 8.39 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.33 7.33 7.33 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database