CHEMBL261546


SMILES O=C(COc1ccc(Nc2nc(OCCc3c[nH]c4cc(Br)ccc34)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)cc1)Nc1ccccc1
InChIKey AYTIQMDUSGIKIT-FTBITJBVSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 6
Rotatable bonds 12
Molecular weight (Da) 729.2

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
A2A AA2AR Human Adenosine A pKi 5.94 5.94 5.94 ChEMBL
A1 AA1R Human Adenosine A pKi 6.43 6.43 6.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 6.84 6.84 6.84 ChEMBL