CHEMBL3612939


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NC)cc(C#Cc4ccc(Cl)s4)nc31)[C@H](O)[C@@H]2O
InChIKey DVEWTVCBLKZYMV-NEWQXWLQSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 457.1

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 Dog Adenosine A pKi 7.12 7.12 7.12 ChEMBL
A3 AA3R Mouse Adenosine A pKi 7.51 7.51 7.51 ChEMBL
A3 AA3R Human Adenosine A pKi 8.52 8.52 8.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database