Structure

InChI Key PIWKPBJCKXDKJR-UHFFFAOYSA-N
Smile FC(F)OC(Cl)C(F)(F)F
InChI
InChI=1S/C3H2ClF5O/c4-1(3(7,8)9)10-2(5)6/h1-2H

Physicochemical Descriptors

Property Name Value
Molecular Formula C3H2ClF5O
Molecular Weight 184.49
AlogP 2.35
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 10.0

Pharmacology

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Hernia, Inguinal 3 D006552 ClinicalTrials
Severe Acute Respiratory Syndrome 3 D045169 ClinicalTrials
Respiratory Insufficiency 3 D012131 ClinicalTrials
Opioid-Related Disorders 2 D009293 ClinicalTrials
Heart Diseases 1 D006331 ClinicalTrials

Related Entries

MCS

Adverse Reactions

System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
21.44
Injury, poisoning and procedural complications
18.29
Nervous system disorders
12.14
Vascular disorders
11.02
Gastrointestinal disorders
5.17
Cardiac disorders
4.95
Metabolism and nutrition disorders
4.27
Investigations
3.52
Respiratory, thoracic and mediastinal disorders
3.22
Infections and infestations
3.0
Pregnancy, puerperium and perinatal conditions
2.62
Psychiatric disorders
2.17

Cross References

Resources Reference
CAS NUMBER 26675-46-7
ChEBI 6015
ChEMBL CHEMBL1256
DrugBank DB00753
DrugCentral 1493
EPA CompTox DTXSID3020752
FDA SRS CYS9AKD70P
Human Metabolome Database HMDB0014891
Guide to Pharmacology 2505
KEGG C07518
PharmGKB PA450106
PubChem 3763
SureChEMBL SCHEMBL1532