CHEMBL3934626


SMILES COc1ccc(CCNc2nc(N)c3nc(-c4ccco4)sc3n2)cc1
InChIKey OXEWCLDNMVANSV-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 367.1

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 5.58 5.58 5.58 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.5 7.5 7.5 ChEMBL
A1 AA1R Human Adenosine A pKi 7.21 7.21 7.21 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.26 6.26 6.26 ChEMBL
A2A AA2AR Human Adenosine A pIC50 7.38 7.45 7.51 ChEMBL