Celgosivir
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Celgosivir
- DrugBank Accession Number
- DB06580
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 259.302
Monoisotopic: 259.14197278 - Chemical Formula
- C12H21NO5
- Synonyms
- 6-O-Butanoylcastanospermine
- Celgosivir
- External IDs
- MDL 28,574
Pharmacology
- Indication
Investigated for use/treatment in hepatitis (viral, C).
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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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Product Ingredients
Ingredient UNII CAS InChI Key Celgosivir hydrochloride 70U2NQU0FP 141117-12-6 KXNZMBFOWDNCRU-QVMZSJACSA-N - International/Other Brands
- BuCast
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as indolizidines. These are polycyclic compounds containing an indolizidine, which is a bicyclic heterocycle containing a saturated six-member ring fused to a saturated five-member ring, one of the bridging atoms being nitrogen.
- Kingdom
- Organic compounds
- Super Class
- Organoheterocyclic compounds
- Class
- Indolizidines
- Sub Class
- Not Available
- Direct Parent
- Indolizidines
- Alternative Parents
- Fatty acid esters / Piperidines / N-alkylpyrrolidines / Trialkylamines / Secondary alcohols / Carboxylic acid esters / Amino acids and derivatives / 1,2-aminoalcohols / Polyols / Monocarboxylic acids and derivatives show 5 more
- Substituents
- 1,2-aminoalcohol / Alcohol / Aliphatic heteropolycyclic compound / Amine / Amino acid or derivatives / Azacycle / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Fatty acid ester show 17 more
- Molecular Framework
- Aliphatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 895VG117HN
- CAS number
- 121104-96-9
- InChI Key
- HTJGLYIJVSDQAE-VWNXEWBOSA-N
- InChI
- InChI=1S/C12H21NO5/c1-2-3-9(15)18-8-6-13-5-4-7(14)10(13)12(17)11(8)16/h7-8,10-12,14,16-17H,2-6H2,1H3/t7-,8-,10+,11+,12+/m0/s1
- IUPAC Name
- (1S,6S,7S,8R,8aR)-1,7,8-trihydroxy-octahydroindolizin-6-yl butanoate
- SMILES
- CCCC(=O)O[C@H]1CN2CC[C@H](O)[C@@H]2[C@@H](O)[C@@H]1O
References
- General References
- Not Available
- External Links
- ChemSpider
- 54737
- ChEMBL
- CHEMBL2110737
- ZINC
- ZINC000003797478
- Wikipedia
- Celgosivir
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2 Completed Treatment Chronic Hepatitis C Virus (HCV) Infection 3 2 Completed Treatment Human Immunodeficiency Virus (HIV) Infections 2 2 Unknown Status Treatment Chronic Hepatitis C Virus (HCV) Infection 1 1 Completed Treatment Human Immunodeficiency Virus (HIV) Infections 1 1, 2 Completed Treatment Dengue Fever 1 1, 2 Withdrawn Treatment Dengue Fever 1
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
- Not Available
- Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Solid
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 344.0 mg/mL ALOGPS logP -0.83 ALOGPS logP -0.97 Chemaxon logS 0.12 ALOGPS pKa (Strongest Acidic) 12.93 Chemaxon pKa (Strongest Basic) 8.19 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 90.23 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 62.82 m3·mol-1 Chemaxon Polarizability 27.02 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes 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 March 19, 2008 16:37 / Updated at February 21, 2021 18:52