Fosmidomycin
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Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Fosmidomycin
- DrugBank Accession Number
- DB02948
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
- Weight
- Average: 183.0997
Monoisotopic: 183.029658947 - Chemical Formula
- C4H10NO5P
- Synonyms
- Fosmidomycin
- Fosmidomycina
- Fosmidomycine
- Fosmidomycinum
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism U1-deoxy-D-xylulose 5-phosphate reductoisomerase Not Available Escherichia coli (strain K12) - 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAcenocoumarol The risk or severity of bleeding can be increased when Fosmidomycin is combined with Acenocoumarol. Ambroxol The risk or severity of methemoglobinemia can be increased when Fosmidomycin is combined with Ambroxol. Articaine The risk or severity of methemoglobinemia can be increased when Fosmidomycin is combined with Articaine. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Fosmidomycin. Benzocaine The risk or severity of methemoglobinemia can be increased when Fosmidomycin is combined with Benzocaine. - 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 Fosmidomycin sodium IYI1EW66CX 66508-37-0 ZZPUYRHMTGOTEU-UHFFFAOYSA-M
Categories
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as organic phosphonic acids. These are organic compounds containing phosphonic acid.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Organic phosphonic acids and derivatives
- Sub Class
- Organic phosphonic acids
- Direct Parent
- Organic phosphonic acids
- Alternative Parents
- Hydroxamic acids / Organopnictogen compounds / Organophosphorus compounds / Organonitrogen compounds / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
- Substituents
- Aliphatic acyclic compound / Carbonyl group / Carboxylic acid derivative / Hydrocarbon derivative / Hydroxamic acid / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organonitrogen compound / Organooxygen compound
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- phosphonic acids, hydroxamic acid (CHEBI:443725)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 5829E3D9I9
- CAS number
- 66508-53-0
- InChI Key
- GJXWDTUCERCKIX-UHFFFAOYSA-N
- InChI
- InChI=1S/C4H10NO5P/c6-4-5(7)2-1-3-11(8,9)10/h4,7H,1-3H2,(H2,8,9,10)
- IUPAC Name
- [3-(N-hydroxyformamido)propyl]phosphonic acid
- SMILES
- ON(CCCP(O)(O)=O)C=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 572
- PubChem Substance
- 46508936
- ChemSpider
- 555
- BindingDB
- 50153713
- ChEBI
- 443725
- ChEMBL
- CHEMBL203125
- ZINC
- ZINC000012502867
- Therapeutic Targets Database
- DAP001384
- PDBe Ligand
- FOM
- Wikipedia
- Fosmidomycin
- PDB Entries
- 1onp / 1q0h / 1q0l / 2egh / 2jcv / 2jcx / 3a06 / 3au9 / 3upy / 4aic … show 7 more
Clinical Trials
- Clinical Trials
Clinical Trial & Rare Diseases Add-on Data Package
Explore 4,000+ rare diseases, orphan drugs & condition pairs, clinical trial why stopped data, & more. Preview package Phase Status Purpose Conditions Count Start Date Why Stopped 100+ additional columns Unlock 175K+ rows when you subscribe.View sample data3 Completed Treatment Malaria 1 somestatus stop reason just information to hide 2 Completed Treatment Malaria 2 somestatus stop reason just information to hide 2 Unknown Status Treatment Malaria 2 somestatus stop reason just information to hide 2 Unknown Status Treatment Oral Treatment of Acute Uncomplicated Plasmodium Falciparum Malaria 1 somestatus stop reason just information to hide 2 Withdrawn Treatment Malaria 1 somestatus stop reason just information to hide
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 21.9 mg/mL ALOGPS logP -1.1 ALOGPS logP -2.2 Chemaxon logS -0.92 ALOGPS pKa (Strongest Acidic) 1.81 Chemaxon pKa (Strongest Basic) -5.6 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 98.07 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 36.83 m3·mol-1 Chemaxon Polarizability 15.06 Å3 Chemaxon Number of Rings 0 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
Property Value Probability Human Intestinal Absorption - 0.9277 Blood Brain Barrier + 0.9098 Caco-2 permeable - 0.6781 P-glycoprotein substrate Non-substrate 0.6815 P-glycoprotein inhibitor I Non-inhibitor 0.9025 P-glycoprotein inhibitor II Non-inhibitor 0.9359 Renal organic cation transporter Non-inhibitor 0.9023 CYP450 2C9 substrate Non-substrate 0.7726 CYP450 2D6 substrate Non-substrate 0.8081 CYP450 3A4 substrate Non-substrate 0.5727 CYP450 1A2 substrate Non-inhibitor 0.7958 CYP450 2C9 inhibitor Non-inhibitor 0.856 CYP450 2D6 inhibitor Non-inhibitor 0.9187 CYP450 2C19 inhibitor Non-inhibitor 0.8218 CYP450 3A4 inhibitor Non-inhibitor 0.6376 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9611 Ames test AMES toxic 0.5096 Carcinogenicity Non-carcinogens 0.6785 Biodegradation Not ready biodegradable 0.7712 Rat acute toxicity 2.2352 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9383 hERG inhibition (predictor II) Non-inhibitor 0.869
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-00fr-9500000000-efefa3a227a7b5c7f124 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-1900000000-3a3053a6e32975b7750e Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-001i-2900000000-fa168ae3caa86d3ff9b8 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-001j-9200000000-0d254c4a8e8fd0a725f6 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-003i-9800000000-24b6e8fb255dec586adc Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-be097cff3f3d905fdb74 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-001i-9000000000-9e4a304b89d26baeca84 Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 126.14544 predictedDeepCCS 1.0 (2019) [M+H]+ 129.26048 predictedDeepCCS 1.0 (2019) [M+Na]+ 138.3366 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Catalyzes the NADPH-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).
- Specific Function
- 1-deoxy-D-xylulose-5-phosphate reductoisomerase activity
- Gene Name
- dxr
- Uniprot ID
- P45568
- Uniprot Name
- 1-deoxy-D-xylulose 5-phosphate reductoisomerase
- Molecular Weight
- 43387.575 Da
References
Drug created at June 13, 2005 13:24 / Updated at February 21, 2021 18:51