2-phenylethylyl-adenosine derivative


SMILES CNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(C#Cc1ccccc1)nc2NC
InChIKey PAFSPMXSTBOTSN-KSVNGYGVSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 3
Molecular weight (Da) 408.2

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
A1 AA1R Human Adenosine A pKi 4.48 4.48 4.48 ChEMBL
A2A AA2AR Human Adenosine A pKi 4.38 4.38 4.38 ChEMBL
A3 AA3R Human Adenosine A pKi 9.36 9.36 9.36 ChEMBL
A3 AA3R Human Adenosine A pKi 9.36 9.36 9.36 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pEC50 6.82 6.82 6.82 ChEMBL