CHEMBL456011


SMILES O=C(Nc1nc(-c2ccccc2)nc2c1nnn2Cc1ccccc1)c1cccs1
InChIKey SNIUMEAFFOTCJB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 412.1

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
A1 AA1R Rat Adenosine A pKi 8.1 8.1 8.1 ChEMBL
A3 AA3R Human Adenosine A pKi 5.64 5.64 5.64 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.52 6.52 6.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database