CHEMBL3317576


SMILES COc1cccc(CCCc2nc(N)c3nn(-c4ccccc4)cc3n2)c1
InChIKey ZCPXGQGRCJYMLF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 6
Molecular weight (Da) 359.2

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
A1 AA1R Human Adenosine A pKi 9.82 9.82 9.82 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.83 6.83 6.83 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pIC50 8.62 8.62 8.62 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.48 6.48 6.48 ChEMBL