CHEMBL382141


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCC(C)O)nc32)[C@H](O)[C@@H]1O
InChIKey MZPCVKUJIVUKFS-WJESWFQVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 418.2

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 8.34 8.34 8.34 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.61 5.61 5.61 ChEMBL
A1 AA1R Human Adenosine A pKi 7.29 7.29 7.29 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database