SCYX-7158

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

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Name
SCYX-7158
Accession Number
DB13086
Type
Small Molecule
Groups
Investigational
Description

SCYX-7158 has been used in trials studying the treatment of Trypanosomiasis, Parasitic Diseases, Protozoan Infections, and Trypanosomiasis, African.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
2IOR2OO3GW
CAS number
1266084-51-8
Weight
Average: 367.11
Monoisotopic: 367.100286
Chemical Formula
C17H14BF4NO3
InChI Key
PTYGDEXEGLDNAZ-UHFFFAOYSA-N
InChI
InChI=1S/C17H14BF4NO3/c1-16(2)12-6-4-10(8-14(12)18(25)26-16)23-15(24)11-5-3-9(19)7-13(11)17(20,21)22/h3-8,25H,1-2H3,(H,23,24)
IUPAC Name
4-fluoro-N-(1-hydroxy-3,3-dimethyl-1,3-dihydro-2,1-benzoxaborol-6-yl)-2-(trifluoromethyl)benzamide
SMILES
CC1(C)OB(O)C2=CC(NC(=O)C3=CC=C(F)C=C3C(F)(F)F)=CC=C12

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
44178354
PubChem Substance
347829210
ChemSpider
29407646
ChEMBL
CHEMBL2347704
Wikipedia
SCYX-7158

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentParasitic Diseases / Protozoan Infections / Trypanosoma brucei gambiense infection / Trypanosomiasis1
2, 3RecruitingTreatmentGambiense Trypanosomiasis / Trypanosoma brucei gambiense infection1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00372 mg/mLALOGPS
logP4ALOGPS
logP4.67ChemAxon
logS-5ALOGPS
pKa (Strongest Acidic)8.78ChemAxon
pKa (Strongest Basic)-4.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area58.56 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity84.42 m3·mol-1ChemAxon
Polarizability33.26 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Trifluoromethylbenzenes
Direct Parent
Trifluoromethylbenzenes
Alternative Parents
4-halobenzoic acids and derivatives / Benzamides / Benzoyl derivatives / Fluorobenzenes / Aryl fluorides / Oxaborole derivatives / Boronic acid esters / Secondary carboxylic acid amides / Oxacyclic compounds / Organic metalloid salts
show 7 more
Substituents
Trifluoromethylbenzene / 4-halobenzoic acid or derivatives / Halobenzoic acid or derivatives / Benzamide / Benzoic acid or derivatives / Benzoyl / Halobenzene / Fluorobenzene / Aryl fluoride / Aryl halide
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 20:51 / Updated on June 04, 2019 07:47