MRS5151


SMILES CNC(=O)[C@]12C[C@@H]2[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1cccc(c1C#CCCCC(=O)O)Cl
InChIKey CYQQUPOETXXUCK-CSTWGOEFSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 5
Rotatable bonds 8
Molecular weight (Da) 538.2

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 4.83 4.83 4.83 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 8.62 8.62 8.62 Guide to Pharmacology
A3 AA3R Mouse Adenosine A pKi 7.61 7.61 7.61 Guide to Pharmacology
A2A AA2AR Mouse Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A1 AA1R Mouse Adenosine A pKi 4.98 4.98 4.98 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database