CHEMBL4581984


SMILES N#Cc1c(N)nc(SCc2cccc(C(N)=O)c2)c(C#N)c1-c1ccco1
InChIKey PBSWAVQHNZBRMP-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 375.1

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 6.49 6.49 6.49 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.17 7.17 7.17 ChEMBL
A1 AA1R Human Adenosine A pKi 8.88 8.88 8.88 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.89 7.89 7.89 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.24 7.24 7.24 ChEMBL
A1 AA1R Human Adenosine A pEC50 8.55 8.55 8.55 ChEMBL