CHEMBL208160


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)C4CCCC4)nc32)[C@H](O)[C@@H]1O
InChIKey FQBRFEMDBUBWQS-WNQWXAGVSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 6
Molecular weight (Da) 458.2

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 5.1 5.1 5.1 ChEMBL
A3 AA3R Human Adenosine A pKi 8.73 8.73 8.73 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.82 6.82 6.82 ChEMBL
A1 AA1R Human Adenosine A pKi 8.17 8.17 8.17 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database