Structure

InChI Key DFEYYRMXOJXZRJ-UHFFFAOYSA-N
Smile FCOC(C(F)(F)F)C(F)(F)F
InChI
InChI=1S/C4H3F7O/c5-1-12-2(3(6,7)8)4(9,10)11/h2H,1H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H3F7O
Molecular Weight 200.05
AlogP 2.42
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 12.0

Pharmacology

Action Mechanism of Action Reference
POSITIVE ALLOSTERIC MODULATOR GABA-A receptor; anion channel positive allosteric modulator PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Respiratory Insufficiency 3 D012131 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Fluoride Poisoning 3 D005458 ClinicalTrials
Back Pain 3 D001416 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Intracranial Aneurysm 3 D002532 ClinicalTrials
Respiratory Distress Syndrome 3 D012128 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
Reperfusion Injury 3 D015427 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Subarachnoid Hemorrhage 2 D013345 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Opioid-Related Disorders 2 D009293 ClinicalTrials
Delirium 2 D003693 ClinicalTrials
Renal Insufficiency 2 D051437 ClinicalTrials
Alcohol-Related Disorders 2 D019973 ClinicalTrials
Tonsillitis 2 D014069 ClinicalTrials
Brain Injuries 2 D001930 ClinicalTrials
Myocardial Infarction 2 D009203 ClinicalTrials
Shock, Septic 2 D012772 ClinicalTrials
Acute Kidney Injury 2 D058186 ClinicalTrials
Obesity 2 D009765 ClinicalTrials
Obesity, Morbid 2 D009767 ClinicalTrials
Hernias, Diaphragmatic, Congenital 2 D065630 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Postoperative Complications 1 D011183 ClinicalTrials
Heart Diseases 1 D006331 ClinicalTrials
Inflammation 1 D007249 ClinicalTrials

Cross References

Resources Reference
ChEBI 9130
ChEMBL CHEMBL1200694
DrugBank DB01236
DrugCentral 2439
EPA CompTox DTXSID8046614
FDA SRS 38LVP0K73A
Human Metabolome Database HMDB0015366
Guide to Pharmacology 7296
KEGG C07520
PharmGKB PA451341
SureChEMBL SCHEMBL61918
ZINC ZINC000001530810