CHEMBL4517597


SMILES COC(=O)c1cccc(CSc2nc(N)c(C#N)c(-c3cccs3)c2C#N)c1
InChIKey LLFDKESQGBJKPL-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 406.1

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 6.16 6.16 6.16 ChEMBL
A1 AA1R Human Adenosine A pKi 8.56 8.56 8.56 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.01 6.01 6.01 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.41 8.41 8.41 ChEMBL