CHEMBL3093331


SMILES C#CCn1c(=O)c2c(nc3n2CCCN3c2cccc(Br)c2)n(C)c1=O
InChIKey QCNBBPGRAQMBJB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 2
Molecular weight (Da) 413.0

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
A2A AA2AR Rat Adenosine A pKi 6.03 6.03 6.03 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.41 5.41 5.41 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.55 6.55 6.55 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.5 6.5 6.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database