CHEMBL604353


SMILES O=C(Cc1ccc(NC(=O)Cc2ccc(Nc3ncnc4c3ncn4C3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)cc1)NCC/N=C(\S)Nc1ccc(Br)cc1
InChIKey KMCPADNCYUSKET-TWADQQKPSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 8
Rotatable bonds 13
Molecular weight (Da) 789.2

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
A1 AA1R Rat Adenosine A pKi 8.92 8.92 8.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database