NAV

Velneperit

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

Identification

Generic Name
Velneperit
DrugBank Accession Number
DB12889
Background

Velneperit has been used in trials studying the treatment of Obesity.

Type
Small Molecule
Groups
Investigational
Structure
Similar Structures
Weight
Average: 407.45
Monoisotopic: 407.149047308
Chemical Formula
C17H24F3N3O3S
Synonyms
  • Velneperit
External IDs
  • S-2367
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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 delta amino acids and derivatives. These are compounds containing a carboxylic acid group and an amino group at the C5 carbon atom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Delta amino acids and derivatives
Alternative Parents
N-arylamides / Pyridines and derivatives / Organosulfonamides / Organic sulfonamides / Imidolactams / Heteroaromatic compounds / Aminosulfonyl compounds / Secondary carboxylic acid amides / Azacyclic compounds / Organofluorides
show 4 more
Substituents
Alkyl fluoride / Alkyl halide / Aminosulfonyl compound / Aromatic heteromonocyclic compound / Azacycle / Carbonyl group / Carboxamide group / Delta amino acid or derivatives / Heteroaromatic compound / Hydrocarbon derivative
show 18 more
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
09BQ2KJ22J
CAS number
342577-38-2
InChI Key
WGEWUYACXPEFPO-AULYBMBSSA-N
InChI
InChI=1S/C17H24F3N3O3S/c1-16(2,3)27(25,26)23-13-7-4-11(5-8-13)15(24)22-14-9-6-12(10-21-14)17(18,19)20/h6,9-11,13,23H,4-5,7-8H2,1-3H3,(H,21,22,24)/t11-,13-
IUPAC Name
(1r,4r)-4-(2-methylpropane-2-sulfonamido)-N-[5-(trifluoromethyl)pyridin-2-yl]cyclohexane-1-carboxamide
SMILES
CC(C)(C)S(=O)(=O)N[C@H]1CC[C@@H](CC1)C(=O)NC1=NC=C(C=C1)C(F)(F)F

References

General References
Not Available
PubChem Compound
20629114
PubChem Substance
347829044
ChemSpider
25948511
BindingDB
50380914
ChEMBL
CHEMBL2016681
Wikipedia
Velneperit

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentObesity4

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 Solubility0.0466 mg/mLALOGPS
logP2.58ALOGPS
logP2.91Chemaxon
logS-3.9ALOGPS
pKa (Strongest Acidic)11.66Chemaxon
pKa (Strongest Basic)2.94Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area88.16 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity96.8 m3·mol-1Chemaxon
Polarizability39.61 Å3Chemaxon
Number of Rings2Chemaxon
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-MSsplash10-0a4i-9050000000-d9886a9a10bed57168c8
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0020900000-cae871e582cf8b32966f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4r-0006900000-6909d9ab096828fdabb9
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-05fr-1194300000-1aeeab9adb195d76940d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0c39-5951300000-c92b9615ac4e1e458a0c
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-053r-5496000000-098f51cecf4878d79ba2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-7940000000-4ce7997922c01c21d956
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]-194.07967
predicted
DeepCCS 1.0 (2019)
[M+H]+196.47523
predicted
DeepCCS 1.0 (2019)
[M+Na]+202.38777
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 01:01 / Updated at February 21, 2021 18:54