CHEMBL2112164


SMILES CNC(=O)[C@]12C[C@@H]1[C@@H](n1cnc3c(NCc4ccc(N)cc4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey FCFZIUPNCQDJIA-KZOVSVDNSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 443.1

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 7.85 7.85 7.85 ChEMBL
A1 AA1R Human Adenosine A pKi 5.39 5.39 5.39 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database