CHEMBL257785


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCC(=O)NCCN)nc31)[C@H](O)[C@@H]2O
InChIKey YREVRKNBIMSBSA-JIGPFOKVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 10
Molecular weight (Da) 580.2

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
A1 AA1R Mouse Adenosine A pKi 6.26 6.26 6.26 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.07 8.07 8.07 ChEMBL
A3 AA3R Human Adenosine A pKi 8.66 8.66 8.66 ChEMBL
A1 AA1R Human Adenosine A pKi 6.34 6.34 6.34 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database