CHEMBL3335525


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(N)nc(NCCc4ccc(CCC(=O)Nc5ccc(OC(=O)CCCC[C@@H]6SC[C@@H]7NC(=O)N[C@H]67)c([N+](=O)[O-])c5)cc4)nc32)[C@H](O)[C@@H]1O
InChIKey MUXUIVVLQXFMRX-CXJTVLAKSA-N

Chemical properties

Hydrogen bond acceptors 17
Hydrogen bond donors 8
Rotatable bonds 18
Molecular weight (Da) 861.3

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
A2A AA2AR Human Adenosine A pKi 5.48 5.48 5.48 ChEMBL
A3 AA3R Human Adenosine A pKi 5.71 5.71 5.71 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database