CHEMBL4172715


SMILES Cc1ccc(-c2nc3c(N)nc(NCc4cccs4)nc3s2)o1
InChIKey KDRDGNYMUHGIHJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 343.1

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 7.82 7.82 7.82 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.47 7.47 7.47 ChEMBL
A1 AA1R Human Adenosine A pKi 7.15 7.15 7.15 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 7.04 7.04 7.04 ChEMBL