NAV

Netazepide

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

Identification

Generic Name
Netazepide
DrugBank Accession Number
DB12355
Background

Netazepide has been used in trials studying the prevention and treatment of Dyspepsia, Hypergastrinaemia, Barrett's Esophagus, ECL-cell Hyperplasia, and Rebound Hyperacidity, among others.

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 498.587
Monoisotopic: 498.23793885
Chemical Formula
C28H30N6O3
Synonyms
  • Netazepide
External IDs
  • YF-476
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" 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
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as 1,4-benzodiazepines. These are organic compounds containing a benzene ring fused to a 1,4-azepine.
Kingdom
Organic compounds
Super Class
Organoheterocyclic compounds
Class
Benzodiazepines
Sub Class
1,4-benzodiazepines
Direct Parent
1,4-benzodiazepines
Alternative Parents
Alpha amino acids and derivatives / N-phenylureas / Aniline and substituted anilines / Phenylalkylamines / Secondary alkylarylamines / Pyridines and derivatives / Heteroaromatic compounds / Tertiary carboxylic acid amides / Ureas / Lactams
show 6 more
Substituents
1,4-benzodiazepine / Alpha-amino acid or derivatives / Amine / Amino acid or derivatives / Aniline or substituted anilines / Aromatic heteropolycyclic compound / Azacycle / Benzenoid / Carbonyl group / Carboxamide group
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
HOU4I0G29C
CAS number
155488-25-8
InChI Key
YDZYKNJZCVIKPP-VWLOTQADSA-N
InChI
InChI=1S/C28H30N6O3/c1-28(2,3)23(35)17-34-22-14-6-5-12-20(22)24(21-13-7-8-15-30-21)32-25(26(34)36)33-27(37)31-19-11-9-10-18(16-19)29-4/h5-16,25,29H,17H2,1-4H3,(H2,31,33,37)/t25-/m0/s1
IUPAC Name
3-[(3R)-1-(3,3-dimethyl-2-oxobutyl)-2-oxo-5-(pyridin-2-yl)-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]-1-[3-(methylamino)phenyl]urea
SMILES
CNC1=CC(NC(=O)N[C@@H]2N=C(C3=CC=CC=N3)C3=CC=CC=C3N(CC(=O)C(C)(C)C)C2=O)=CC=C1

References

General References
Not Available
PubChem Compound
9870520
PubChem Substance
347828609
ChemSpider
8046211
BindingDB
50056102
ChEMBL
CHEMBL324547
ZINC
ZINC000003810905

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
2CompletedPreventionBarrett's Esophagus1
2CompletedTreatmentBarrett's Esophagus1
2CompletedTreatmentChronic Atrophic Gastritis (CAG) / Hypergastrinemia / Type I Gastric Carcinoids1
2RecruitingTreatmentCarcinoids1
2TerminatedTreatmentChronic Atrophic Gastritis (CAG) / Hypergastrinemia / Type I Gastric Carcinoids1

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 Solubility0.00452 mg/mLALOGPS
logP3.45ALOGPS
logP4.05Chemaxon
logS-5ALOGPS
pKa (Strongest Acidic)13.24Chemaxon
pKa (Strongest Basic)4.31Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area115.79 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity143.44 m3·mol-1Chemaxon
Polarizability52.73 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-0002-0100900000-94bd6ef6db8edb12f42e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0004900000-f582967c44fc63c63910
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-007k-1113900000-a8e8790e6d6136ccdc5e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-001j-1139100000-3f09a344e40b6ab2d623
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-7974300000-fe18cb82c120b8065c74
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-006x-9864100000-06fe4e54d2196c9f88f0
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]-243.1187108
predicted
DarkChem Lite v0.1.0
[M-H]-214.79808
predicted
DeepCCS 1.0 (2019)
[M+H]+245.5159108
predicted
DarkChem Lite v0.1.0
[M+H]+217.19365
predicted
DeepCCS 1.0 (2019)
[M+Na]+243.3412108
predicted
DarkChem Lite v0.1.0
[M+Na]+223.10617
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 22:04 / Updated at February 21, 2021 18:53