CHEMBL81616


SMILES CC(=O)NCCNc1[nH]c(-c2ccccc2)nc2nc(C)c(C)c1-2
InChIKey RHBHHAJRAODTML-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 323.2

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 7.64 7.64 7.64 ChEMBL
A1 AA1R Human Adenosine A pKi 7.92 7.92 7.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 7.32 7.32 7.32 ChEMBL
A1 AA1R Human Adenosine A pIC50 7.62 7.62 7.62 ChEMBL