CHEMBL381972


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4cccc([N+](=O)[O-])c4)nc32)[C@H](O)[C@@H]1O
InChIKey LEVYHWDETTZZKX-PCUSSDDASA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 511.2

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
A2B AA2BR Human Adenosine A pKi 5.92 5.92 5.92 ChEMBL
A3 AA3R Human Adenosine A pKi 8.46 8.46 8.46 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.4 6.4 6.4 ChEMBL
A1 AA1R Human Adenosine A pKi 7.95 7.95 7.95 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database