CHEMBL605399


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(C56CC7CC(CC(C7)C5)C6)nn4)nc31)[C@H](O)[C@@H]2O
InChIKey IMOUNXQRZGLBSG-DYHDFLJKSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 4
Rotatable bonds 10
Molecular weight (Da) 709.3

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
A3 AA3R Human Adenosine A pKi 8.19 8.19 8.19 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.48 5.48 5.48 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database