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
Structure for FK-614 (DB12557)
- Weight
- Average: 468.39
Monoisotopic: 467.0837182 - Chemical Formula
- C21H23Cl2N3O3S
- Synonyms
- Not Available
- External IDs
- FK614
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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
- External Links
- PubChem Compound
- 9869229
- PubChem Substance
- 347828781
- ChemSpider
- 8044920
- ChEMBL
- CHEMBL3545278
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Diabetes Mellitus 1
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
Property Value Source Water Solubility 0.00396 mg/mL ALOGPS logP 4.85 ALOGPS logP 3.27 Chemaxon logS -5.1 ALOGPS pKa (Strongest Acidic) 3.94 Chemaxon pKa (Strongest Basic) 5.91 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 81.06 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 119.37 m3·mol-1 Chemaxon Polarizability 46.7 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 20, 2016 22:51 / Updated at June 12, 2020 16:53