CHEMBL205768


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC4(O)CCCC4)nc32)[C@H](O)[C@@H]1O
InChIKey HPUBEZVMGBMZPM-KSVNGYGVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 5
Molecular weight (Da) 444.2

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
A2B AA2BR Human Adenosine A pKi 4.58 4.58 4.58 ChEMBL
A3 AA3R Human Adenosine A pKi 8.69 8.69 8.69 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.03 6.03 6.03 ChEMBL
A1 AA1R Human Adenosine A pKi 7.46 7.46 7.46 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database