CHEMBL205327


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CC(O)c4ccccc4OC)nc32)[C@H](O)[C@@H]1O
InChIKey QQFDLSRUWARKPH-RZNSVPNRSA-N

Chemical properties

Hydrogen bond acceptors 11
Hydrogen bond donors 5
Rotatable bonds 7
Molecular weight (Da) 496.2

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 5.41 5.41 5.41 ChEMBL
A3 AA3R Human Adenosine A pKi 8.7 8.7 8.7 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.3 6.3 6.3 ChEMBL
A1 AA1R Human Adenosine A pKi 8.37 8.37 8.37 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database