CHEMBL257573


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

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 6
Rotatable bonds 11
Molecular weight (Da) 622.2

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 7.34 7.34 7.34 ChEMBL
A3 AA3R Mouse Adenosine A pKi 8.33 8.33 8.33 ChEMBL
A3 AA3R Human Adenosine A pKi 8.54 8.54 8.54 ChEMBL
A1 AA1R Human Adenosine A pKi 6.74 6.74 6.74 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database