CHEMBL4067452


SMILES Cc1cc(C)n(C[C@H]2O[C@@H](n3cnc4c(N[C@@H]5CCOC5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1
InChIKey RBFWIGCXCSBGDT-AJKMGBEJSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 3
Rotatable bonds 5
Molecular weight (Da) 449.2

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
A3 AA3R Human Adenosine A pKi 6.0 6.0 6.0 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.92 4.92 4.92 ChEMBL
A1 AA1R Human Adenosine A pKi 6.36 6.36 6.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database