CHEMBL4526845


SMILES O=c1oc2c(O)cccc2cc1-c1ccc(Br)cc1
InChIKey HHVNBOHWALFNHB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 1
Molecular weight (Da) 316.0

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 5.42 6.0 6.59 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.92 4.92 4.92 ChEMBL
A1 AA1R Human Adenosine A pKi 5.62 5.62 5.62 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 5.51 5.51 5.51 ChEMBL