CHEMBL4454608


SMILES COc1ccc(-c2cc(-c3cccc(Br)c3)c(C#N)c(N)n2)cc1
InChIKey VRGKDTFQDYCZFO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 379.0

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
A2A AA2AR Human Adenosine A pKi 4.42 4.42 4.42 ChEMBL
A1 AA1R Human Adenosine A pKi 6.68 6.68 6.68 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 5.9 5.9 5.9 ChEMBL