CHEMBL1095001


SMILES CNC(=O)[C@H]1O[C@@H](n2cnc3c(NCc4ccc(NC(=O)CCC(=O)NCCc5cc(C(C)(C)C)c(O)c(C(C)(C)C)c5)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey VXXNUWWLPWLLIW-BSYZOHBLSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 7
Rotatable bonds 12
Molecular weight (Da) 730.4

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
A1 AA1R Human Adenosine A pKi 7.38 7.38 7.38 ChEMBL
A3 AA3R Human Adenosine A pKi 8.65 8.65 8.65 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database