CHEMBL341852


SMILES O=C(Nc1cccc(Cl)c1)Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12
InChIKey WMUVQLDTRXROGS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 731.9

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
A2B AA2BR Human Adenosine A pKi 5.73 5.73 5.73 ChEMBL
A3 AA3R Human Adenosine A pKi 4.15 6.4 7.15 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.44 5.44 5.44 ChEMBL
A1 AA1R Human Adenosine A pKi 6.41 6.41 6.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database