CHEMBL4280129


SMILES Nc1ncc(C(=O)c2sc(Nc3ccccc3)nc2-c2ccccc2)n1-c1ccc(F)cc1
InChIKey BOLACKNRYYYLLE-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 455.1

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
A1 AA1R Human Adenosine A pKi 5.17 5.17 5.17 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.13 5.13 5.13 ChEMBL
A3 AA3R Human Adenosine A pKi 6.52 6.52 6.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database