This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Icerguastat
- DrugBank Accession Number
- DB16932
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Icerguastat (DB16932)
- 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
Pharmacology
- Indication
Not Available
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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
Products
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Ingredient UNII CAS InChI Key Icerguastat acetate JDD15DX7JF 469866-31-7 WEXITTWZMLUGNU-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
- External Links
- ChemSpider
- 4512304
- ChEMBL
- CHEMBL2365743
- ZINC
- ZINC000000128265
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Active Not Recruiting Treatment Amyotrophic Lateral Sclerosis (ALS) 1 1 Completed Other Healthy Volunteers (HV) 1
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 0.195 mg/mL ALOGPS logP 1.18 ALOGPS logP 1.57 Chemaxon logS -3 ALOGPS pKa (Strongest Acidic) 17.65 Chemaxon pKa (Strongest Basic) 8.52 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 74.26 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 74.26 m3·mol-1 Chemaxon Polarizability 19.35 Å3 Chemaxon Number of Rings 1 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
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at September 13, 2022 21:51 / Updated at December 13, 2022 10:46