CHEMBL3335526


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(O)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O
InChIKey UXTWNGBPJFUVIK-NLJXWPIHSA-N

Chemical properties

Hydrogen bond acceptors 14
Hydrogen bond donors 7
Rotatable bonds 12
Molecular weight (Da) 635.2

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
A3 AA3R Human Adenosine A pKi 6.77 6.77 6.77 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.57 6.57 6.57 ChEMBL
A1 AA1R Human Adenosine A pKi 5.72 5.72 5.72 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database