Netazepide
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Explore a selection of our essential drug information below, or:
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
- Weight
- Average: 498.587
Monoisotopic: 498.23793885 - Chemical Formula
- C28H30N6O3
- Synonyms
- Netazepide
- External IDs
- YF-476
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism AGastrin/cholecystokinin type B receptor inhibitorHumans - 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- 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
- External Links
- PubChem Compound
- 9870520
- PubChem Substance
- 347828609
- ChemSpider
- 8046211
- BindingDB
- 50056102
- ChEMBL
- CHEMBL324547
- ZINC
- ZINC000003810905
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data2 Completed Prevention Barrett's Esophagus 1 somestatus stop reason just information to hide 2 Completed Treatment Barrett's Esophagus 1 somestatus stop reason just information to hide 2 Completed Treatment Chronic Atrophic Gastritis (CAG) / Hypergastrinemia / Type I Gastric Carcinoids 1 somestatus stop reason just information to hide 2 Recruiting Treatment Carcinoids 1 somestatus stop reason just information to hide 2 Terminated Treatment Chronic Atrophic Gastritis (CAG) / Hypergastrinemia / Type I Gastric Carcinoids 1 somestatus stop reason just information to hide
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
Property Value Source Water Solubility 0.00452 mg/mL ALOGPS logP 3.45 ALOGPS logP 4.05 Chemaxon logS -5 ALOGPS pKa (Strongest Acidic) 13.24 Chemaxon pKa (Strongest Basic) 4.31 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 115.79 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 143.44 m3·mol-1 Chemaxon Polarizability 52.73 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-0002-0100900000-94bd6ef6db8edb12f42e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0002-0004900000-f582967c44fc63c63910 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-007k-1113900000-a8e8790e6d6136ccdc5e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-001j-1139100000-3f09a344e40b6ab2d623 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4i-7974300000-fe18cb82c120b8065c74 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-006x-9864100000-06fe4e54d2196c9f88f0 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 243.1187108 predictedDarkChem Lite v0.1.0 [M-H]- 214.79808 predictedDeepCCS 1.0 (2019) [M+H]+ 245.5159108 predictedDarkChem Lite v0.1.0 [M+H]+ 217.19365 predictedDeepCCS 1.0 (2019) [M+Na]+ 243.3412108 predictedDarkChem Lite v0.1.0 [M+Na]+ 223.10617 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsGastrin/cholecystokinin type B receptor
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Yes
- Actions
- Inhibitor
- General Function
- Receptor for gastrin and cholecystokinin. The CCK-B receptors occur throughout the central nervous system where they modulate anxiety, analgesia, arousal, and neuroleptic activity. This receptor mediates its action by association with G proteins that activate a phosphatidylinositol-calcium second messenger system
- Specific Function
- 1-phosphatidylinositol-3-kinase regulator activity
- Gene Name
- CCKBR
- Uniprot ID
- P32239
- Uniprot Name
- Gastrin/cholecystokinin type B receptor
- Molecular Weight
- 48418.51 Da
References
- Zhou Y, Zhang Y, Zhao D, Yu X, Shen X, Zhou Y, Wang S, Qiu Y, Chen Y, Zhu F: TTD: Therapeutic Target Database describing target druggability information. Nucleic Acids Res. 2024 Jan 5;52(D1):D1465-D1477. doi: 10.1093/nar/gkad751. [Article]
Drug created at October 20, 2016 22:04 / Updated at August 27, 2024 19:15