CHEMBL602845


SMILES CNC(=O)[C@@]12C[C@@H]1[C@@H](n1cnc3c(NCc4cccc(Cl)c4)nc(C#CCCCCc4cn(C(Br)C(=O)c5ccccc5)nn4)nc31)[C@H](O)[C@@H]2O
InChIKey SJKQMHPNHNRFGL-IXWQHHIZSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 12
Molecular weight (Da) 771.2

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
A3 AA3R Human Adenosine A pKi 8.02 8.02 8.02 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.24 5.24 5.24 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database