CHEMBL589076


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(CCCCCCC(=O)NCCOCOCOCOCNC5SCC6NC(=O)NC65)nn4)nc31)[C@H](O)[C@@H]2O
InChIKey CEALCIQCPCMMIL-VDBAZENWSA-N

Chemical properties

Hydrogen bond acceptors 19
Hydrogen bond donors 8
Rotatable bonds 28
Molecular weight (Da) 1007.4

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 Human Adenosine A pKi 6.63 6.63 6.63 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database