Irsogladine

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

Identification

Name
Irsogladine
Accession Number
DB13056
Type
Small Molecule
Groups
Investigational
Description

Irsogladine is under investigation in clinical trial NCT02581696 (The Drug-drug Interaction and Safety of Lafutidine and Irsogladine Maleate in Healthy Adult Volunteers).

Structure
Thumb
Synonyms
Not Available
Categories
UNII
QBX79NZC1D
CAS number
57381-26-7
Weight
Average: 256.09
Monoisotopic: 255.0078506
Chemical Formula
C9H7Cl2N5
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

Pharmacology

Indication
Not Available
Structured Indications
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
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Irsogladine.Approved
AcetyldigoxinAcetyldigoxin may decrease the cardiotoxic activities of Irsogladine.Experimental
BevacizumabBevacizumab may increase the cardiotoxic activities of Irsogladine.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Irsogladine.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Irsogladine.Approved, Investigational
CymarinCymarin may decrease the cardiotoxic activities of Irsogladine.Experimental
DeslanosideDeslanoside may decrease the cardiotoxic activities of Irsogladine.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Irsogladine.Approved, Investigational
DigoxinDigoxin may decrease the cardiotoxic activities of Irsogladine.Approved
Digoxin Immune Fab (Ovine)Digoxin Immune Fab (Ovine) may decrease the cardiotoxic activities of Irsogladine.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Irsogladine.Approved, Investigational
GitoformateGitoformate may decrease the cardiotoxic activities of Irsogladine.Experimental
Lanatoside CLanatoside C may decrease the cardiotoxic activities of Irsogladine.Experimental
MetildigoxinMetildigoxin may decrease the cardiotoxic activities of Irsogladine.Experimental
OleandrinOleandrin may decrease the cardiotoxic activities of Irsogladine.Experimental, Investigational
OuabainOuabain may decrease the cardiotoxic activities of Irsogladine.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Irsogladine.Approved, Vet Approved
PeruvosidePeruvoside may decrease the cardiotoxic activities of Irsogladine.Experimental
ProscillaridinProscillaridin may decrease the cardiotoxic activities of Irsogladine.Experimental
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Irsogladine.Approved, Investigational
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
3752
PubChem Substance
347829185
ChemSpider
3621
BindingDB
69900
ChEBI
93307
ChEMBL
CHEMBL136497

Clinical Trials

Clinical Trials
Not Available

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 Solubility0.52 mg/mLALOGPS
logP2.09ALOGPS
logP2.97ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)15.57ChemAxon
pKa (Strongest Basic)5.32ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count5ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area90.71 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity76.84 m3·mol-1ChemAxon
Polarizability23.56 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
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
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0a4i-1390000000-d59070ea30ef6a195ff8
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0a4i-1290000000-224c424bc84b6e415bf1
MS/MS Spectrum - , positiveLC-MS/MSsplash10-0a4i-0290000000-4d003781ddbc84ff1ef3

Taxonomy

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
2,4-diamine-s-triazine / 1,4-dichlorobenzene / Amino-1,3,5-triazine / Aminotriazine / Aryl chloride / Aryl halide / 1,3,5-triazine / Triazine / Heteroaromatic compound / Azacycle
Molecular Framework
Aromatic heteromonocyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 20:29 / Updated on November 09, 2017 05:17