CHEMBL201493


SMILES CCCn1c(=O)c2[nH]c(-c3ccc(OC(CC)C(=O)Nc4ccc(Br)cc4)cc3)cc2n(CCC)c1=O
InChIKey ZVKQGJZAIYNFMS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 10
Molecular weight (Da) 566.2

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 8.22 8.22 8.22 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.5 7.5 7.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database