CHEMBL4557250


SMILES N#Cc1c(N)nc(SCc2cccc(CO)c2)c(C#N)c1-c1ccco1
InChIKey AWILPOCGXGKWER-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 362.1

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
A2A AA2AR Human Adenosine A pKi 7.51 7.51 7.51 ChEMBL
A1 AA1R Human Adenosine A pKi 9.01 9.01 9.01 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.82 6.82 6.82 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.66 7.66 7.66 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.3 8.3 8.3 ChEMBL