CHEMBL4216880


SMILES N#Cc1c(N)nc(SCc2ncc[nH]2)c(C#N)c1-c1ccc(OCC2CC2)cc1
InChIKey SEHVZOJKPYLYHJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 402.1

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
A3 AA3R Human Adenosine A pKi 6.32 6.32 6.32 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.12 6.12 6.12 ChEMBL
A1 AA1R Human Adenosine A pKi 6.63 6.63 6.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 8.02 8.02 8.02 ChEMBL