CHEMBL4175878


SMILES COc1cccc(CNc2nc(N)c3nc(-c4cccs4)sc3n2)c1
InChIKey DZBPQTHYQQLPHZ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 369.1

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 6.37 6.37 6.37 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.66 7.66 7.66 ChEMBL
A1 AA1R Human Adenosine A pKi 7.43 7.43 7.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 5.56 5.56 5.56 ChEMBL