metrifudil


SMILES OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NCc1ccccc1C
InChIKey OOEMZCZWZXHBKW-SCFUHWHPSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 371.2

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
A2A AA2AR Human Adenosine A pKi 5.5 5.5 5.5 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 6.44 6.93 7.42 ChEMBL
A2A AA2AR Rat Adenosine A pKi 7.6 7.61 7.62 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.01 7.12 7.22 ChEMBL
A3 AA3R Human Adenosine A pKi 7.33 7.33 7.33 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.12 6.12 6.12 ChEMBL
A1 AA1R Human Adenosine A pKi 7.41 7.41 7.41 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database