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Icerguastat

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

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Identification

Generic Name
Icerguastat
DrugBank Accession Number
DB16932
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 196.64
Monoisotopic: 196.051574
Chemical Formula
C8H9ClN4
Synonyms
  • (2e)-2-((2-chlorophenyl)methylene)hydrazinecarboximidamide
  • 2-((2-chlorophenyl)methylene)hydrazinecarboximidamide
  • Guanidine, ((o-chlorobenzylidene)amino)-
  • Hydrazinecarboximidamide, 2-((2-chlorophenyl)methylene)-
  • Sephin 1
  • Sephin-1
  • Sephin1
External IDs
  • IFB-088
  • NSC-65390
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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
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

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Product Ingredients
IngredientUNIICASInChI Key
Icerguastat acetateJDD15DX7JF469866-31-7WEXITTWZMLUGNU-NKPNRJPBSA-N

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
9M998304JB
CAS number
951441-04-6
InChI Key
PDWJALXSRRSUHR-LFYBBSHMSA-N
InChI
InChI=1S/C8H9ClN4/c9-7-4-2-1-3-6(7)5-12-13-8(10)11/h1-5H,(H4,10,11,13)/b12-5+
IUPAC Name
N-[(E)-[(2-chlorophenyl)methylidene]amino]guanidine
SMILES
NC(=N)N\N=C\C1=CC=CC=C1Cl

References

General References
Not Available
ChemSpider
4512304
ChEMBL
CHEMBL2365743
ZINC
ZINC000000128265

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
PropertyValueSource
Water Solubility0.195 mg/mLALOGPS
logP1.18ALOGPS
logP1.57Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)17.65Chemaxon
pKa (Strongest Basic)8.52Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area74.26 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity74.26 m3·mol-1Chemaxon
Polarizability19.35 Å3Chemaxon
Number of Rings1Chemaxon
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 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at September 13, 2022 21:51 / Updated at December 13, 2022 10:46