10,10-difluoro TXA2


SMILES CCCCC[C@@H](/C=C/[C@H]1C[C@@H]2O[C@H]([C@@H]1C/C=C\CCCC(=O)O)C2(F)F)O
InChIKey CIYZUODQUHAGKZ-SCVXEUJASA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 12
Molecular weight (Da) 386.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Ligand site mutations A1 A3 CXCR4

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Rat Adenosine A pKi 5.51 5.51 5.51 PDSP Ki database
A2A AA2AR Rat Adenosine A pKi 6.48 6.48 6.48 PDSP Ki database
A2A AA2AR Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
PAF PTAFR Human Platelet-activating factor A pKi 6.89 7.76 8.85 PDSP Ki database
TP TA2R Human Prostanoid A pKd 7.0 7.0 7.0 Guide to Pharmacology
A1 AA1R Human Adenosine A pKi 5.0 5.0 5.0 PDSP Ki database
A1 AA1R Rat Adenosine A pKi 6.61 6.61 6.61 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database