CHEMBL3335524


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

Chemical properties

Hydrogen bond acceptors 16
Hydrogen bond donors 6
Rotatable bonds 18
Molecular weight (Da) 760.3

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 5.74 5.74 5.74 ChEMBL
A2A AA2AR Human Adenosine A pKd 8.5 8.5 8.5 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.36 5.36 5.36 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database