CHEMBL144972


SMILES Nc1nc2nn(CCc3cc(Br)c(Br)cc3Br)cc2c2nc(-c3ccco3)nn12
InChIKey QYNQDOYOHRANSN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 578.9

Drug properties

Molecular type Small molecule
Endogenous/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 5.95 5.95 5.95 ChEMBL
A3 AA3R Human Adenosine A pKi 5.35 5.35 5.35 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.46 6.46 6.46 ChEMBL
A1 AA1R Human Adenosine A pKi 6.61 6.61 6.61 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database