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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Intracranial Aneurysm 3 D002532 ClinicalTrials
Pain 3 D010146 ClinicalTrials
Respiratory Distress Syndrome 3 D012128 ClinicalTrials
Respiratory Insufficiency 3 D012131 ClinicalTrials
Fluoride Poisoning 3 D005458 ClinicalTrials
Cerebral Arterial Diseases 3 D002539 ClinicalTrials
Neoplasms 3 D009369 ClinicalTrials
Coronary Disease 3 D003327 ClinicalTrials
Reperfusion Injury 3 D015427 ClinicalTrials
Esophageal Neoplasms 3 D004938 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Back Pain 3 D001416 ClinicalTrials
Myocardial Infarction 2 D009203 ClinicalTrials
Obesity 2 D009765 ClinicalTrials
Acute Kidney Injury 2 D058186 ClinicalTrials
Obesity, Morbid 2 D009767 ClinicalTrials
Hernias, Diaphragmatic, Congenital 2 D065630 ClinicalTrials
Subarachnoid Hemorrhage 2 D013345 ClinicalTrials
Opioid-Related Disorders 2 D009293 ClinicalTrials
Delirium 2 D003693 ClinicalTrials
Renal Insufficiency 2 D051437 ClinicalTrials
Shock, Septic 2 D012772 ClinicalTrials
Breast Neoplasms 2 D001943 ClinicalTrials
Lung Neoplasms 2 D008175 ClinicalTrials
Alcohol-Related Disorders 2 D019973 ClinicalTrials
Brain Injuries 2 D001930 ClinicalTrials
Dental Anxiety 2 D016854 ClinicalTrials
Substance-Related Disorders 2 D019966 ClinicalTrials
Pulmonary Disease, Chronic Obstructive 2 D029424 ClinicalTrials
Tonsillitis 2 D014069 ClinicalTrials
Colorectal Neoplasms 1 D015179 ClinicalTrials
Inflammation 1 D007249 ClinicalTrials
Renal Insufficiency, Chronic 1 D051436 ClinicalTrials
Postoperative Complications 1 D011183 ClinicalTrials
Heart Diseases 1 D006331 ClinicalTrials

Cross References

Resources Reference
ChEBI 9130
ChEMBL CHEMBL1200694
DrugBank DB01236
DrugCentral 2439
EPA CompTox DTXSID8046614
FDA SRS 38LVP0K73A
Human Metabolome Database HMDB15366
Guide to Pharmacology 7296
KEGG C07520
PharmGKB PA451341
SureChEMBL SCHEMBL61918
ZINC ZINC000001530810