CHEMBL5844829


SMILES CNC(=O)[C@]12CC1[C@@H](n1cnc3c(NCCc4ccccc4)nc(-n4cc(-c5ccc(Cl)s5)nn4)nc31)[C@H](O)C2O
InChIKey RRMJXPMSDBXWPN-CHYDXISMSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 591.2

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 8.18 8.18 8.18 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database