CP608,039


SMILES CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1N)O)n1cnc2c1ncnc2NCc1cc(Cl)ccc1COc1onc(c1)C
InChIKey KXDJDMIUJGBFAV-QYUDBREXSA-N

Chemical properties

Hydrogen bond acceptors 12
Hydrogen bond donors 4
Rotatable bonds 8
Molecular weight (Da) 528.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 5.14 5.14 5.14 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 8.24 8.24 8.24 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database