CHEMBL4436509


SMILES N#Cc1c(N)nc(SCc2ccncc2)c(C#N)c1-c1ccco1
InChIKey XDDKKVMAZSJNOX-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 333.1

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
A3 AA3R Human Adenosine A pKi 6.17 6.17 6.17 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.94 6.94 6.94 ChEMBL
A1 AA1R Human Adenosine A pKi 7.4 7.4 7.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database