CHEMBL3827171


SMILES OC[C@@H]1CCCN1c1ncnc2sc(Nc3cccc(Br)c3)nc12
InChIKey MFGADMHJBQHFPU-LBPRGKRZSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 405.0

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
A3 AA3R Human Adenosine A pKi 5.97 5.97 5.97 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.82 6.82 6.82 ChEMBL
A1 AA1R Human Adenosine A pKi 6.28 6.28 6.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database