Netazepide

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

Identification

Name
Netazepide
Accession Number
DB12355
Type
Small Molecule
Groups
Investigational
Description

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.

Structure
Thumb
Synonyms
Not Available
External IDs
YF-476
Categories
UNII
HOU4I0G29C
CAS number
155488-25-8
Weight
Average: 498.587
Monoisotopic: 498.23793885
Chemical Formula
C28H30N6O3
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

Pharmacology

Indication
Not Available
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
Toxicity
Not Available
Affected organisms
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

References

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

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedBasic ScienceHypergastrinemia3
1CompletedBasic ScienceReflux Esophagitis (RE)4
1CompletedTreatmentDyspepsia / ECL-cell Hyperplasia / Parietal-cell Hyperplasia / Rebound Hyperacidity1
2CompletedPreventionEsophagus, Barrett1
2CompletedTreatmentChronic Atrophic Gastritis (CAG) / Hypergastrinemia / Type I Gastric Carcinoids1
2Enrolling by InvitationTreatmentEsophagus, Barrett1
2RecruitingTreatmentCarcinoids1
2TerminatedTreatmentChronic Atrophic Gastritis (CAG) / Hypergastrinemia / Type I Gastric Carcinoids1
2TerminatedTreatmentZollinger-Ellison Syndrome1

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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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 / N-phenylurea / Aniline or substituted anilines / Phenylalkylamine / Secondary aliphatic/aromatic amine / Monocyclic benzene moiety / Pyridine / Benzenoid / Heteroaromatic compound
show 22 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 16:04 / Updated on March 01, 2020 21:10

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