CHEMBL4128596


SMILES COc1cccc(CNc2nc(N)c3nc(-c4ccccc4)sc3n2)c1
InChIKey BCYGXPUZEWFUON-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 363.1

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
A1 AA1R Human Adenosine A pKi 7.5 7.5 7.5 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.38 7.38 7.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 7.43 7.43 7.43 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.18 7.25 7.32 ChEMBL
A2B AA2BR Human Adenosine A pIC50 5.62 5.62 5.62 ChEMBL