CHEMBL5078507


SMILES N#Cc1c(N)nc(SCc2ncc[nH]2)nc1-c1ccccc1
InChIKey KNAVXUQOZNYRNP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 308.1

Drug properties

Molecular type Unknown
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 6.46 6.46 6.46 ChEMBL
A1 AA1R Human Adenosine A pKi 7.07 7.07 7.07 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.17 7.17 7.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 6.57 6.57 6.57 ChEMBL