(R,S)-PHPNECA


SMILES CCNC(=O)[C@H]1O[C@H]([C@H]([C@H]1O)O)n1cnc2c1nc(C#CC(c1ccccc1)O)nc2N
InChIKey WOAZCBPWCCREDO-CERUIEQFSA-N

Chemical properties

Hydrogen bond acceptors 10
Hydrogen bond donors 5
Rotatable bonds 4
Molecular weight (Da) 438.2

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 8.6 8.6 8.6 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 8.5 8.5 8.5 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 9.4 9.4 9.4 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database