CHEMBL411075


SMILES Cn1c(=O)c2[nH]c(-c3ccc(OCC(=O)N4CCN(c5ccc(Br)cc5)CC4)cc3)cc2n(C)c1=O
InChIKey WZUIISQBVTWPJF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 551.1

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
A2B AA2BR Human Adenosine A pKi 8.46 8.46 8.46 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.94 6.94 6.94 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database