CHEMBL439335


SMILES CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC)nc(C#CCc4ccccc4)nc32)[C@H](O)[C@@H]1O
InChIKey QXYKBAKDCVFRMY-QPXQOZNCSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 6
Molecular weight (Da) 450.2

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 4.67 4.67 4.67 ChEMBL
A3 AA3R Human Adenosine A pKi 8.87 8.87 8.87 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.19 6.19 6.19 ChEMBL
A1 AA1R Human Adenosine A pKi 7.81 7.81 7.81 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database