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

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 6.48 6.48 6.48 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
A2A AA2AR 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
A3 AA3R Rat Adenosine A pKi 5.51 5.51 5.51 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database