CHEMBL3799848


SMILES Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4Cl)cc3n2)o1
InChIKey BPQMICPWRXHIJI-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 339.1

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 7.15 7.15 7.15 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.21 8.21 8.21 ChEMBL
A1 AA1R Human Adenosine A pKi 7.22 7.22 7.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.82 6.82 6.82 ChEMBL