CHEMBL52648


SMILES Cc1ccc(C(=O)N[C@H]2[C@@H](CO)O[C@@H](n3cnc4c(NC5CCCC5)ncnc43)[C@@H]2O)cc1C
InChIKey NGMDVFNUKCVJLD-DSPLJNTKSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 466.2

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
A1 AA1R Rat Adenosine A pKi 7.62 7.98 9.14 ChEMBL
A1 AA1R Human Adenosine A pKi 6.86 6.86 6.86 ChEMBL
A2A AA2AR Rat Adenosine A pKi 5.43 5.43 5.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database