This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Deoxyspergualin
- DrugBank Accession Number
- DB12991
- Background
Deoxyspergualin has been used in trials studying the treatment of Lupus Nephritis, Chronic Rejection, and Diabetes Mellitus, Type 1.
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Deoxyspergualin (DB12991)
- Weight
- Average: 387.529
Monoisotopic: 387.295788079 - Chemical Formula
- C17H37N7O3
- Synonyms
- (-)-Gusperimus
- 15-Desoxyspergualin
- Deoxyspergualin
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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.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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbatacept The risk or severity of adverse effects can be increased when Abatacept is combined with Deoxyspergualin. Adalimumab The risk or severity of adverse effects can be increased when Adalimumab is combined with Deoxyspergualin. Adenovirus type 7 vaccine live The risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Deoxyspergualin. Aldesleukin The risk or severity of adverse effects can be increased when Aldesleukin is combined with Deoxyspergualin. Alefacept The risk or severity of adverse effects can be increased when Alefacept is combined with Deoxyspergualin. Alemtuzumab The risk or severity of adverse effects can be increased when Alemtuzumab is combined with Deoxyspergualin. Allogeneic processed thymus tissue The therapeutic efficacy of Allogeneic processed thymus tissue can be decreased when used in combination with Deoxyspergualin. Altretamine The risk or severity of adverse effects can be increased when Altretamine is combined with Deoxyspergualin. Amsacrine The risk or severity of adverse effects can be increased when Amsacrine is combined with Deoxyspergualin. Anakinra The risk or severity of adverse effects can be increased when Anakinra is combined with Deoxyspergualin. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as n-acyl-alpha amino acids and derivatives. These are compounds containing an alpha amino acid (or a derivative thereof) which bears an acyl group at its terminal nitrogen atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- N-acyl-alpha amino acids and derivatives
- Alternative Parents
- Alpha amino acid amides / N-acyl amines / Secondary carboxylic acid amides / Guanidines / Propargyl-type 1,3-dipolar organic compounds / Dialkylamines / Carboximidamides / Alkanolamines / Organopnictogen compounds / Organic oxides show 3 more
- Substituents
- Aliphatic acyclic compound / Alkanolamine / Alpha-amino acid amide / Amine / Carbonyl group / Carboxamide group / Carboximidamide / Fatty acyl / Fatty amide / Guanidine show 16 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 57F9XM233R
- CAS number
- 89149-10-0
- InChI Key
- IDINUJSAMVOPCM-INIZCTEOSA-N
- InChI
- InChI=1S/C17H37N7O3/c18-9-7-11-21-10-5-6-12-22-15(26)16(27)24-14(25)8-3-1-2-4-13-23-17(19)20/h16,21,27H,1-13,18H2,(H,22,26)(H,24,25)(H4,19,20,23)/t16-/m0/s1
- IUPAC Name
- N-[(S)-({4-[(3-aminopropyl)amino]butyl}carbamoyl)(hydroxy)methyl]-7-carbamimidamidoheptanamide
- SMILES
- NCCCNCCCCNC(=O)[C@H](O)NC(=O)CCCCCCNC(N)=N
References
- General References
- Not Available
- External Links
- PubChem Compound
- 91272
- PubChem Substance
- 347829130
- ChemSpider
- 82420
- ChEMBL
- CHEMBL1172736
- ZINC
- ZINC000004215557
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Type 1 Diabetes Mellitus 1 1, 2 Completed Treatment Lupus Nephritis 1 Not Available Terminated Treatment Chronic Rejection 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 0.129 mg/mL ALOGPS logP -0.89 ALOGPS logP -3.1 ChemAxon logS -3.5 ALOGPS pKa (Strongest Acidic) 11.37 ChemAxon pKa (Strongest Basic) 12.28 ChemAxon Physiological Charge 3 ChemAxon Hydrogen Acceptor Count 8 ChemAxon Hydrogen Donor Count 8 ChemAxon Polar Surface Area 178.38 Å2 ChemAxon Rotatable Bond Count 17 ChemAxon Refractivity 115.75 m3·mol-1 ChemAxon Polarizability 44.84 Å3 ChemAxon Number of Rings 0 ChemAxon Bioavailability 0 ChemAxon Rule of Five No ChemAxon Ghose Filter No 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 GC-MS Spectrum - GC-MS Predicted GC-MS Not Available Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Drug created at October 21, 2016 01:49 / Updated at June 12, 2020 16:53