CHEMBL5805696


SMILES CNC(=O)[C@]12CC1[C@@H](n1cnc3c(C)nc(C#Cc4ccccc4)nc31)[C@H](O)C2O
InChIKey XKGTXFGCMPVVQJ-GWFYBIRGSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 2
Molecular weight (Da) 403.2

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 Mouse Adenosine A pKi 6.8 6.8 6.8 ChEMBL
A3 AA3R Human Adenosine A pKi 8.22 8.22 8.22 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database