Fosmidomycin
Identification
- Name
- Fosmidomycin
- Accession Number
- DB02948
- Description
- Not Available
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Structure
Structure for Fosmidomycin (DB02948)
- Weight
- Average: 183.0997
Monoisotopic: 183.029658947 - Chemical Formula
- C4H10NO5P
- Synonyms
- Fosmidomycin
- Fosmidomycina
- Fosmidomycine
- Fosmidomycinum
Pharmacology
Accelerate your drug discovery research with the industry’s only fully connected ADMET dataset, ideal for:Accelerate your drug discovery research with our fully connected ADMET dataset- Indication
- Not Available
- Contraindications & Blackbox Warnings
Contraindications & Blackbox WarningsWith our commercial data, access important information on dangerous risks, contraindications, and adverse effects.Our Blackbox Warnings cover Risks, Contraindications, and Adverse Effects- 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
Reduce medical errorsand improve treatment outcomes with our comprehensive & structured data on drug adverse effects.Reduce medical errors & improve treatment outcomes with our adverse effects data- Toxicity
- Not Available
- Affected organisms
- 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. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Fosmidomycin. Dicoumarol The risk or severity of bleeding can be increased when Fosmidomycin is combined with Dicoumarol. Fluindione The risk or severity of bleeding can be increased when Fosmidomycin is combined with Fluindione. Lactulose The therapeutic efficacy of Lactulose can be decreased when used in combination with Fosmidomycin. Phenindione The risk or severity of bleeding can be increased when Fosmidomycin is combined with Phenindione. Phenprocoumon The risk or severity of bleeding can be increased when Fosmidomycin is combined with Phenprocoumon. Picosulfuric acid The therapeutic efficacy of Picosulfuric acid can be decreased when used in combination with Fosmidomycin. Typhoid vaccine The therapeutic efficacy of Typhoid vaccine can be decreased when used in combination with Fosmidomycin. Vibrio cholerae CVD 103-HgR strain live antigen The therapeutic efficacy of Vibrio cholerae CVD 103-HgR strain live antigen can be decreased when used in combination with Fosmidomycin. 
Improve patient outcomesBuild effective decision support tools with the industry’s most comprehensive drug-drug interaction checker.Learn more - Food Interactions
- Not Available
Products
Comprehensive & structured drug product infoFrom application numbers to product codes, connect different identifiers through our commercial datasets.Easily connect various identifiers back to our datasets- 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)
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 6 more
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Completed Treatment Plasmodium Infections 1 2 Completed Treatment Plasmodium Infections 2 2 Unknown Status Treatment Oral Treatment of Acute Uncomplicated Plasmodium Falciparum Malaria 1 2 Unknown Status Treatment Plasmodium Infections 2 2 Withdrawn Treatment Plasmodium Infections 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 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 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
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Nadph binding
- Specific Function
- Catalyzes the NADP-dependent rearrangement and reduction of 1-deoxy-D-xylulose-5-phosphate (DXP) to 2-C-methyl-D-erythritol 4-phosphate (MEP).
- Gene Name
- dxr
- Uniprot ID
- P45568
- Uniprot Name
- 1-deoxy-D-xylulose 5-phosphate reductoisomerase
- Molecular Weight
- 43387.575 Da
References
- Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [PubMed:17139284]
- Imming P, Sinning C, Meyer A: Drugs, their targets and the nature and number of drug targets. Nat Rev Drug Discov. 2006 Oct;5(10):821-34. [PubMed:17016423]
Drug created on June 13, 2005 13:24 / Updated on February 21, 2021 18:51