CHEMBL1946295


SMILES CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1
InChIKey BRNQFMQEVZGSIY-ZWDAVXSWSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 6
Molecular weight (Da) 457.1

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 7.62 7.62 7.62 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.43 5.43 5.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database