CHEMBL3800587


SMILES COc1cccc(Cn2cc3nc(-c4ccc(C)o4)nc(N)c3n2)c1
InChIKey TWUUVOAFXFRSQO-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 335.1

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 7.06 7.06 7.06 ChEMBL
A2A AA2AR Human Adenosine A pKi 8.28 8.28 8.28 ChEMBL
A1 AA1R Human Adenosine A pKi 6.92 6.92 6.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pIC50 6.53 6.53 6.53 ChEMBL
A2A AA2AR Human Adenosine A pIC50 8.19 8.19 8.19 ChEMBL
A1 AA1R Human Adenosine A pIC50 6.87 6.87 6.87 ChEMBL