CHEMBL4779033


SMILES O=C(Nc1nc(-c2ccccc2)c(-c2ccccn2)s1)c1ccccc1
InChIKey VMBMZXSGMDQSHW-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 357.1

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 Rat Adenosine A pKi 6.41 6.41 6.41 ChEMBL
A1 AA1R Rat Adenosine A pKi 8.46 8.46 8.46 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.08 7.08 7.08 ChEMBL
A1 AA1R Human Adenosine A pKi 7.04 7.04 7.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database