NAV

FK-614

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

Identification

Generic Name
FK-614
DrugBank Accession Number
DB12557
Background

FK614 has been used in trials studying the treatment of Diabetes Mellitus.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 468.39
Monoisotopic: 467.0837182
Chemical Formula
C21H23Cl2N3O3S
Synonyms
Not Available
External IDs
  • FK614
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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
Not Available
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzimidazoles
Sub Class
Not Available
Direct Parent
Benzimidazoles
Alternative Parents
Dichlorobenzenes / N-substituted imidazoles / Aryl chlorides / Organosulfonic acids and derivatives / Heteroaromatic compounds / Aminosulfonyl compounds / Carboxylic acids and derivatives / Azacyclic compounds / Organooxygen compounds / Organonitrogen compounds
show 3 more
Substituents
1,3-dichlorobenzene / Aminosulfonyl compound / Aromatic heteropolycyclic compound / Aryl chloride / Aryl halide / Azacycle / Azole / Benzenoid / Benzimidazole / Carboxylic acid derivative
show 18 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
V5Q32BZX79
CAS number
193012-35-0
InChI Key
UYGZODVVDUIDDQ-UHFFFAOYSA-N
InChI
InChI=1S/C21H23Cl2N3O3S/c1-3-4-5-10-30(28,29)25-21(27)15-7-9-19-20(11-15)26(14(2)24-19)13-16-6-8-17(22)12-18(16)23/h6-9,11-12H,3-5,10,13H2,1-2H3,(H,25,27)
IUPAC Name
1-[(2,4-dichlorophenyl)methyl]-2-methyl-N-(pentane-1-sulfonyl)-1H-1,3-benzodiazole-6-carboxamide
SMILES
CCCCCS(=O)(=O)NC(=O)C1=CC=C2N=C(C)N(CC3=CC=C(Cl)C=C3Cl)C2=C1

References

General References
Not Available
PubChem Compound
9869229
PubChem Substance
347828781
ChemSpider
8044920
ChEMBL
CHEMBL3545278

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDiabetes Mellitus1

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 Solubility0.00396 mg/mLALOGPS
logP4.85ALOGPS
logP3.27Chemaxon
logS-5.1ALOGPS
pKa (Strongest Acidic)3.94Chemaxon
pKa (Strongest Basic)5.91Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area81.06 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity119.37 m3·mol-1Chemaxon
Polarizability46.7 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0100900000-e0d37f3f3f745a49d1cf
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0100900000-185f8a1f3b5cd96c845a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014l-9013800000-60d0fd2973808abc6032
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00o0-9307800000-8795c078892b6f5a23a4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-9000000000-05e5d2b1e56b2a1b66b1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-07vi-3904100000-1aa614cfa7e36c8eec10
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-208.38191
predicted
DeepCCS 1.0 (2019)
[M+H]+210.7417
predicted
DeepCCS 1.0 (2019)
[M+Na]+217.38467
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:51 / Updated at June 12, 2020 16:53