You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on DrugBank.
Identification
NameFosmidomycin
Accession NumberDB02948  (EXPT01469)
Typesmall molecule
Groupsexperimental
DescriptionNot Available
Structure
Thumb
SynonymsNot Available
SaltsNot Available
Brand namesNot Available
Brand mixturesNot Available
CategoriesNot Available
CAS numberNot Available
WeightAverage: 183.0997
Monoisotopic: 183.029658947
Chemical FormulaC4H10NO5P
InChI KeyGJXWDTUCERCKIX-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
Mass SpecNot Available
Taxonomy
KingdomOrganic Compounds
SuperclassOrganophosphorus Compounds
ClassOrganic Phosphonic Acids and Derivatives
SubclassOrganic Phosphonic Acids
Direct parentOrganic Phosphonic Acids
Alternative parentsPolyamines; Carboxylic Acids and Derivatives
Substituentscarboxylic acid derivative; polyamine; amine; organonitrogen compound
Classification descriptionThis compound belongs to the organic phosphonic acids. These are organic compounds containing phosphonic acid.
Pharmacology
IndicationNot Available
PharmacodynamicsNot Available
Mechanism of actionNot Available
AbsorptionNot Available
Volume of distributionNot Available
Protein bindingNot Available
Metabolism
Route of eliminationNot Available
Half lifeNot Available
ClearanceNot Available
ToxicityNot Available
Affected organismsNot Available
PathwaysNot Available
SNP Mediated EffectsNot Available
SNP Mediated Adverse Drug ReactionsNot Available
ADMET
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 substrate Non-inhibitor 0.856
CYP450 2D6 substrate Non-inhibitor 0.9187
CYP450 2C19 substrate Non-inhibitor 0.8218
CYP450 3A4 substrate 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
Pharmacoeconomics
ManufacturersNot Available
PackagersNot Available
Dosage formsNot Available
PricesNot Available
PatentsNot Available
Properties
Statesolid
Experimental PropertiesNot Available
Predicted Properties
PropertyValueSource
water solubility2.19e+01 g/lALOGPS
logP-1.1ALOGPS
logP-2.2ChemAxon
logS-0.92ALOGPS
pKa (strongest acidic)1.81ChemAxon
pKa (strongest basic)-5.6ChemAxon
physiological charge-1ChemAxon
hydrogen acceptor count5ChemAxon
hydrogen donor count3ChemAxon
polar surface area98.07ChemAxon
rotatable bond count4ChemAxon
refractivity36.83ChemAxon
polarizability15.06ChemAxon
number of rings0ChemAxon
bioavailability1ChemAxon
rule of fiveYesChemAxon
Ghose filterNoChemAxon
Veber's ruleNoChemAxon
MDDR-like ruleNoChemAxon
Spectra
SpectraNot Available
References
Synthesis ReferenceNot Available
General ReferenceNot Available
External Links
ResourceLink
PubChem Compound572
PubChem Substance46508936
ChEBI443725
ChEMBL
Therapeutic Targets DatabaseDAP001384
HETFOM
ATC CodesNot Available
AHFS CodesNot Available
PDB Entries
FDA labelNot Available
MSDSNot Available
Interactions
Drug InteractionsNot Available
Food InteractionsNot Available

Targets

1. 1-deoxy-D-xylulose 5-phosphate reductoisomerase

Kind: protein

Organism: Escherichia coli (strain K12)

Pharmacological action: unknown

Components

Name UniProt ID Details
1-deoxy-D-xylulose 5-phosphate reductoisomerase P45568 Details

References:

  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. Pubmed
  2. 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

Comments
comments powered by Disqus
Drug created on June 13, 2005 07:24 / Updated on September 16, 2013 17:19