CHEMBL1094997


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(Nc4ccc(CCNC(=O)c5ccc6c(c5)C(C)(C)N([O])C6(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey OEXNHLCFOBCBNI-YDXRHMNESA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 629.3

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 7.6 7.6 7.6 ChEMBL
A1 AA1R Human Adenosine A pKi 7.28 7.28 7.28 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database