CHEMBL4557518


SMILES N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccco1
InChIKey LZBOBIXSMDCUFY-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 360.1

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 Human Adenosine A pKi 6.65 6.65 6.65 ChEMBL
A1 AA1R Human Adenosine A pKi 7.64 7.64 7.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 7.24 7.24 7.24 ChEMBL