CHEMBL610589


SMILES CCNC(=O)[C@H]1OC(n2cnc3c(NC(=O)Nc4ccc(S(=O)(=O)NC(C)(C)C)cc4)ncnc32)[C@H](O)[C@@H]1O
InChIKey NMRKWFWLSWYRCH-VDXVPGQCSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 6
Rotatable bonds 7
Molecular weight (Da) 562.2

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 7.7 7.7 7.7 ChEMBL
A1 AA1R Human Adenosine A pKi 6.6 6.6 6.6 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database