FK-453


SMILES OCC[C@H]1CCCCN1C(=O)/C=C/c1c(nn2c1cccc2)c1ccccc1
InChIKey OPLOPFHUHFGKMJ-JXOMPUQVSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 375.2

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 7.74 7.74 7.74 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A1 AA1R Mouse Adenosine A pKi 9.26 9.26 9.26 ChEMBL
A1 AA1R Rat Adenosine A pKi 9.31 9.31 9.31 ChEMBL
A3 AA3R Human Adenosine A pKi 5.55 5.55 5.55 ChEMBL
A1 AA1R Human Adenosine A pKi 7.75 8.79 9.31 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.89 5.89 5.89 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.89 5.89 5.89 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.01 6.01 6.01 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Guinea pig Adenosine A pIC50 5.93 5.93 5.93 ChEMBL
A1 AA1R Guinea pig Adenosine A pIC50 5.93 7.59 9.25 ChEMBL
A2A AA2AR Rat Adenosine A pIC50 4.95 4.96 4.96 ChEMBL
A1 AA1R Rat Adenosine A pIC50 5.0 7.07 7.77 ChEMBL
A2A AA2AR Human Adenosine A pIC50 4.95 4.95 4.95 ChEMBL
A2B AA2BR Human Adenosine A pIC50 6.01 6.01 6.01 ChEMBL
A2B AA2BR Rat Adenosine A pIC50 5.09 5.09 5.09 ChEMBL