NAV

Velneperit

This drug entry is astuband 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
MOL SDF PDB SMILES InChI
Similar Structures
Weight
Average: 407.45
Monoisotopic: 407.149047308
Chemical Formula
C17H24F3N3O3S
Synonyms
  • Velneperit
External IDs
  • S-2367

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/ADRsBrowse all" title="" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug InteractionsLearn More" title="" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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 byClassyfire
描述
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
三角洲氨基酸和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
分子框架
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 TrialsLearn More" title="" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
Phase Status Purpose Conditions Count
2 Completed Treatment Obesity 4

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
革命制度党ces
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
Property Value Source
Water Solubility 0.0466 mg/mL ALOGPS
logP 2.58 ALOGPS
logP 2.91 Chemaxon
logS -3.9 ALOGPS
pKa (Strongest Acidic) 11.66 Chemaxon
pKa (Strongest Basic) 2.94 Chemaxon
Physiological Charge 0 Chemaxon
Hydrogen Acceptor Count 4 Chemaxon
Hydrogen Donor Count 2 Chemaxon
Polar Surface Area 88.16 Å2 Chemaxon
Rotatable Bond Count 5 Chemaxon
Refractivity 96.8 m3·mol-1 Chemaxon
极化率 39.61 Å3 Chemaxon
Number of Rings 2 Chemaxon
Bioavailability 1 Chemaxon
Rule of Five Yes Chemaxon
Ghose Filter Yes Chemaxon
Veber's Rule No Chemaxon
MDDR-like Rule No Chemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
Spectrum Spectrum Type Splash Key
Predicted GC-MS Spectrum - GC-MS Predicted GC-MS Not Available
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 21, 2016 01:01 / Updated at February 21, 2021 18:54