CHEMBL1076562


SMILES O=C(Nc1ccc(Br)c(-c2ccco2)n1)C1CC1
InChIKey VBLOVSRAUWMBNG-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 306.0

Drug properties

Molecular type Small molecule
Endogenous/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 7.55 7.55 7.55 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.46 7.46 7.46 ChEMBL
A1 AA1R Human Adenosine A pKi 6.54 6.54 6.54 ChEMBL
A3 AA3R Human Adenosine A pKi 6.21 6.21 6.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database