CHEMBL602843


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(-c5ccc(N)cc5)nn4)nc31)[C@H](O)[C@@H]2O
InChIKey DJFFHKZRCZFCLV-HDFRBTCWSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 10
Molecular weight (Da) 666.3

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 7.06 7.06 7.06 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.26 5.26 5.26 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database