CHEMBL5989546


SMILES CNC(=O)[C@]12CC1[C@@H](n1cnc3c(NCCc4ccccc4)nc(N=[N+]=[N-])nc31)[C@H](O)C2O
InChIKey CDKMJUUVXDKEEQ-RTDVDLNSSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 7
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 9.07 9.07 9.07 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database