NAV

CNV-2197944

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

Identification

Generic Name
CNV-2197944
DrugBank Accession Number
DB15229
Background

CNV-2197944 is under investigation in clinical trial NCT01893125 (Efficacy and Safety of CNV2197944 Versus Placebo in Patients With Diabetic Peripheral Neuropathy).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 427.44
Monoisotopic: 427.117747179
Chemical Formula
C19H20F3N3O3S
Synonyms
  • CNV2197944
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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 benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzenesulfonamides
Direct Parent
Benzenesulfonamides
Alternative Parents
Trifluoromethylbenzenes / Benzenesulfonyl compounds / Pyridinecarboxylic acids and derivatives / Methylpyridines / Organosulfonamides / Piperazines / Tertiary carboxylic acid amides / Heteroaromatic compounds / Sulfonyls / Tertiary amines
show 7 more
Substituents
1,4-diazinane / Alkyl fluoride / Alkyl halide / Amine / Amino acid or derivatives / Aromatic heteromonocyclic compound / Azacycle / Benzenesulfonamide / Benzenesulfonyl group / Carboxamide group
show 23 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
SSB9S6N20R
CAS number
1204535-44-3
InChI Key
BLFJGFDZMABYMY-ZDUSSCGKSA-N
InChI
InChI=1S/C19H20F3N3O3S/c1-13-12-24(10-11-25(13)18(26)17-4-3-9-23-14(17)2)29(27,28)16-7-5-15(6-8-16)19(20,21)22/h3-9,13H,10-12H2,1-2H3/t13-/m0/s1
IUPAC Name
(2S)-2-methyl-1-(2-methylpyridine-3-carbonyl)-4-[4-(trifluoromethyl)benzenesulfonyl]piperazine
SMILES
C[C@H]1CN(CCN1C(=O)C1=CC=CN=C1C)S(=O)(=O)C1=CC=C(C=C1)C(F)(F)F

References

General References
Not Available
ChemSpider
75531289

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentDiabetic Peripheral Neuropathy (DPN)1
2CompletedTreatmentPostherpetic Neuralgia1

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 Solubility0.119 mg/mLALOGPS
logP2.34ALOGPS
logP2.16Chemaxon
logS-3.6ALOGPS
pKa (Strongest Basic)4.55Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area70.58 Å2Chemaxon
Rotatable Bond Count3Chemaxon
Refractivity101.83 m3·mol-1Chemaxon
Polarizability40.34 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 MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0010900000-dbb8b1c97c5718c11b9f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-056r-0004900000-53746f8bac7c64cfa0b1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0020900000-e94812a8358f7cfa61ff
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-056r-0135900000-ebf08d282febb3e83b0c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0pb9-5249300000-a2e561da24f7bb763ccf
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f6x-9352200000-99756688c4c3c1c39ec7
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at May 20, 2019 15:02 / Updated at June 12, 2020 16:53