Irsogladine
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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
- Irsogladine
- DrugBank Accession Number
- DB13056
- Background
Irsogladine is under investigation in clinical trial NCT02581696 (The Drug-drug Interaction and Safety of Lafutidine and Irsogladine Maleate in Healthy Adult Volunteers).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 256.09
Monoisotopic: 255.0078506 - Chemical Formula
- C9H7Cl2N5
- Synonyms
- Irsogladine
Pharmacology
- Indication
Not Available
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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
- 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
- ATC Codes
- A02BX16 — Irsogladine
- Drug Categories
- Alimentary Tract and Metabolism
- Anti-Ulcer Agents
- Anticarcinogenic Agents
- Compounds used in a research, industrial, or household setting
- Drugs for Acid Related Disorders
- Drugs for Peptic Ulcer and Gastro-Oesophageal Reflux Disease (Gord)
- Gastrointestinal Agents
- Protective Agents
- Radiation-Protective Agents
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
- Kingdom
- Organic compounds
- Super Class
- Benzenoids
- Class
- Benzene and substituted derivatives
- Sub Class
- Halobenzenes
- Direct Parent
- Dichlorobenzenes
- Alternative Parents
- 1,3,5-triazine-2,4-diamines / Aryl chlorides / 1,3,5-triazines / Heteroaromatic compounds / Azacyclic compounds / Primary amines / Organopnictogen compounds / Organochlorides / Hydrocarbon derivatives
- Substituents
- 1,3,5-triazine / 1,4-dichlorobenzene / 2,4-diamine-s-triazine / Amine / Amino-1,3,5-triazine / Aminotriazine / Aromatic heteromonocyclic compound / Aryl chloride / Aryl halide / Azacycle
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- QBX79NZC1D
- CAS number
- 57381-26-7
- InChI Key
- ATCGGEJZONJOCL-UHFFFAOYSA-N
- InChI
- InChI=1S/C9H7Cl2N5/c10-4-1-2-6(11)5(3-4)7-14-8(12)16-9(13)15-7/h1-3H,(H4,12,13,14,15,16)
- IUPAC Name
- 6-(2,5-dichlorophenyl)-1,3,5-triazine-2,4-diamine
- SMILES
- NC1=NC(=NC(N)=N1)C1=C(Cl)C=CC(Cl)=C1
References
- General References
- Not Available
- External Links
- PubChem Compound
- 3752
- PubChem Substance
- 347829185
- ChemSpider
- 3621
- BindingDB
- 69900
- ChEBI
- 93307
- ChEMBL
- CHEMBL136497
- ZINC
- ZINC000000002645
- Wikipedia
- Irsogladine
Clinical Trials
- Clinical Trials
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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 0.52 mg/mL ALOGPS logP 2.09 ALOGPS logP 2.97 Chemaxon logS -2.7 ALOGPS pKa (Strongest Acidic) 15.57 Chemaxon pKa (Strongest Basic) 5.32 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 90.71 Å2 Chemaxon Rotatable Bond Count 1 Chemaxon Refractivity 76.84 m3·mol-1 Chemaxon Polarizability 23.56 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
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 155.3661 predictedDeepCCS 1.0 (2019) [M+H]+ 157.72412 predictedDeepCCS 1.0 (2019) [M+Na]+ 163.8173 predictedDeepCCS 1.0 (2019)
Drug created at October 21, 2016 02:29 / Updated at February 21, 2021 18:54