CHEMBL256312


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(C#CCCCC(=O)NCCN)c4)nc(Cl)nc31)[C@H](O)[C@@H]2O
InChIKey KLKGDSNZDPZCMZ-SGDVHKFBSA-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
Endogenous/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 6.82 6.82 6.82 ChEMBL
A3 AA3R Human Adenosine A pKi 8.28 8.28 8.28 ChEMBL
A1 AA1R Human Adenosine A pKi 6.57 6.57 6.57 ChEMBL
A3 AA3R Mouse Adenosine A pKi 7.92 7.92 7.92 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database