NAV

Acoziborole

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

Identification

Generic Name
Acoziborole
DrugBank Accession Number
DB13086
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 367.11
Monoisotopic: 367.100286
Chemical Formula
C17H14BF4NO3
Synonyms
Not Available
External IDs
  • SCYX-7158
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
1,2-oxaborole derivative / 4-halobenzoic acid or derivatives / Alkyl fluoride / Alkyl halide / Aromatic heteropolycyclic compound / Aryl fluoride / Aryl halide / Benzamide / Benzoic acid or derivatives / Benzoyl
show 21 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
2IOR2OO3GW
CAS number
1266084-51-8
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

References

General References
Not Available
PubChem Compound
44178354
PubChem Substance
347829210
ChemSpider
29407646
ChEBI
183111
ChEMBL
CHEMBL2347704
ZINC
ZINC000198072921
Wikipedia
Acoziborole

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
3Not Yet RecruitingTreatmentHuman African Trypanosomiasis (HAT)1
2, 3CompletedTreatmentGambiense Trypanosomiasis / Trypanosoma Brucei Gambiense; Infection1
2, 3CompletedTreatmentTrypanosoma Brucei Gambiense; Infection1
2, 3RecruitingTreatmentTrypanosoma Brucei Gambiense; Infection1
1CompletedOtherTrypanosoma 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-MSsplash10-0006-1904000000-e29685d4042c7266948c
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uxr-0009000000-c1eafe1c3cef20413a5b
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-01b9-0009000000-3487fa924393b6c0c0dc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-506c061c192bb53f2803
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-01b9-2209000000-5a4d935e939fd8c05cbb
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dm-0966000000-e9478c593884c980c20e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01vo-7958000000-03674dc64e7743824e61
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 21, 2016 02:51 / Updated at December 01, 2022 23:18