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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyPhosphoramidon
Identification
- Name
- Phosphoramidon
- Accession Number
- DB02557 (EXPT02764)
- Type
- Small Molecule
- Groups
- Experimental
- Description
- Not Available
- Structure
Structure for Phosphoramidon (DB02557)
- Synonyms
- Not Available
- Product Ingredients
Ingredient UNII CAS InChI Key Phosphoramidon disodium 3F7O684NXF 164204-38-0 OQKHVXFOYFBMDJ-ODIUWQMJSA-L - Categories
- UNII
- T3G94E2LB1
- CAS number
- 36357-77-4
- Weight
- Average: 543.5039
Monoisotopic: 543.198180835 - Chemical Formula
- C23H34N3O10P
- InChI Key
- ZPHBZEQOLSRPAK-XLCYBJAPSA-N
- InChI
- InChI=1S/C23H34N3O10P/c1-11(2)8-16(26-37(33,34)36-23-20(29)19(28)18(27)12(3)35-23)21(30)25-17(22(31)32)9-13-10-24-15-7-5-4-6-14(13)15/h4-7,10-12,16-20,23-24,27-29H,8-9H2,1-3H3,(H,25,30)(H,31,32)(H2,26,33,34)/t12-,16-,17-,18-,19+,20+,23-/m0/s1
- IUPAC Name
- (2S)-2-{[(2S)-1-hydroxy-2-{[hydroxy({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phosphoryl]amino}-4-methylpentylidene]amino}-3-(1H-indol-3-yl)propanoic acid
- SMILES
- [H][C@@](CC(C)C)(NP(O)(=O)O[C@]1([H])O[C@@]([H])(C)[C@]([H])(O)[C@@]([H])(O)[C@@]1([H])O)C(O)=N[C@@]([H])(CC1=CNC2=CC=CC=C12)C(O)=O
Pharmacology
- Indication
- Not Available
- Pharmacodynamics
- Not Available
- Mechanism of action
Target Actions Organism UNeprilysin inhibitorHuman UKell blood group glycoprotein Not Available Human - 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
- Toxicity
- Not Available
- Affected organisms
- Not Available
- Pathways
- Not Available
- Pharmacogenomic Effects/ADRs
- Not Available
Interactions
- Drug Interactions
Drug Interaction Abacavir The serum concentration of Abacavir can be decreased when it is combined with Phosphoramidon. Ambroxol acefyllinate The serum concentration of Ambroxol acefyllinate can be decreased when it is combined with Phosphoramidon. Amineptine The serum concentration of Amineptine can be increased when it is combined with Phosphoramidon. Aminophylline The serum concentration of Aminophylline can be decreased when it is combined with Phosphoramidon. Amitriptylinoxide The serum concentration of Amitriptylinoxide can be increased when it is combined with Phosphoramidon. Amoxapine The serum concentration of Amoxapine can be increased when it is combined with Phosphoramidon. BCG vaccine The therapeutic efficacy of BCG vaccine can be decreased when used in combination with Phosphoramidon. Boceprevir The serum concentration of Phosphoramidon can be decreased when it is combined with Boceprevir. Butriptyline The serum concentration of Butriptyline can be increased when it is combined with Phosphoramidon. Clarithromycin The therapeutic efficacy of Clarithromycin can be decreased when used in combination with Phosphoramidon. - Food Interactions
- Not Available
References
- Synthesis Reference
Guillaume de Nanteuil, Georges Remond, Tony Verbeuren, "Preparation of phosphoramidon." U.S. Patent US5608045, issued December, 1989.
US5608045- General References
- Not Available
- External Links
- KEGG Compound
- C00563
- PubChem Compound
- 445114
- PubChem Substance
- 46506179
- ChemSpider
- 392848
- BindingDB
- 50251742
- ChEBI
- 45353
- ChEMBL
- CHEMBL479579
- Therapeutic Targets Database
- DNC001121
- HET
- RDF
- Wikipedia
- Phosphoramidon
- PDB Entries
- 1dmt / 1tlp / 3dbk / 3dwb / 3zuk / 4b52 / 4cth / 4zr5 / 6bh8
Clinical Trials
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 0.752 mg/mL ALOGPS logP 0.1 ALOGPS logP 0.98 ChemAxon logS -2.9 ALOGPS pKa (Strongest Acidic) 2.49 ChemAxon pKa (Strongest Basic) -3.6 ChemAxon Physiological Charge -2 ChemAxon Hydrogen Acceptor Count 10 ChemAxon Hydrogen Donor Count 8 ChemAxon Polar Surface Area 214.16 Å2 ChemAxon Rotatable Bond Count 11 ChemAxon Refractivity 129.46 m3·mol-1 ChemAxon Polarizability 51.5 Å3 ChemAxon Number of Rings 3 ChemAxon Bioavailability 0 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes ChemAxon - Predicted ADMET features
Property Value Probability Human Intestinal Absorption - 0.6948 Blood Brain Barrier - 0.9264 Caco-2 permeable - 0.704 P-glycoprotein substrate Substrate 0.6813 P-glycoprotein inhibitor I Non-inhibitor 0.578 P-glycoprotein inhibitor II Non-inhibitor 0.8717 Renal organic cation transporter Non-inhibitor 0.9636 CYP450 2C9 substrate Non-substrate 0.7455 CYP450 2D6 substrate Non-substrate 0.7995 CYP450 3A4 substrate Substrate 0.6024 CYP450 1A2 substrate Non-inhibitor 0.8286 CYP450 2C9 inhibitor Non-inhibitor 0.8278 CYP450 2D6 inhibitor Non-inhibitor 0.891 CYP450 2C19 inhibitor Non-inhibitor 0.7963 CYP450 3A4 inhibitor Non-inhibitor 0.746 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.759 Ames test Non AMES toxic 0.6604 Carcinogenicity Non-carcinogens 0.8752 Biodegradation Not ready biodegradable 1.0 Rat acute toxicity 2.7483 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9847 hERG inhibition (predictor II) Non-inhibitor 0.8229
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- Dipeptides
- Alternative Parents
- Leucine and derivatives / N-acyl-L-alpha-amino acids / Alpha amino acid amides / Hexoses / Indolyl carboxylic acids and derivatives / 3-alkylindoles / Phosphoric monoester monoamides / Substituted pyrroles / Benzenoids / Phosphate esters show 15 more
- Substituents
- Alpha-dipeptide / Leucine or derivatives / N-acyl-l-alpha-amino acid / N-acyl-alpha-amino acid / N-acyl-alpha amino acid or derivatives / Alpha-amino acid amide / Hexose monosaccharide / Indolyl carboxylic acid derivative / N-substituted-alpha-amino acid / Alpha-amino acid or derivatives show 35 more
- Molecular Framework
- Aromatic heteropolycyclic compounds
- External Descriptors
- dipeptide, deoxyaldohexose phosphate (CHEBI:45353)
Targets
- Kind
- Protein
- Organism
- Human
- Pharmacological action
- Unknown
- Actions
- Inhibitor
- General Function
- Zinc ion binding
- Specific Function
- Thermolysin-like specificity, but is almost confined on acting on polypeptides of up to 30 amino acids (PubMed:15283675, PubMed:8168535). Biologically important in the destruction of opioid peptide...
- Gene Name
- MME
- Uniprot ID
- P08473
- Uniprot Name
- Neprilysin
- Molecular Weight
- 85513.225 Da
References
- Chen X, Ji ZL, Chen YZ: TTD: Therapeutic Target Database. Nucleic Acids Res. 2002 Jan 1;30(1):412-5. [PubMed:11752352]
- Kind
- Protein
- Organism
- Human
- Pharmacological action
- Unknown
- General Function
- Zinc endopeptidase with endothelin-3-converting enzyme activity. Cleaves EDN1, EDN2 and EDN3, with a marked preference for EDN3.
- Specific Function
- Metal ion binding
- Gene Name
- KEL
- Uniprot ID
- P23276
- Uniprot Name
- Kell blood group glycoprotein
- Molecular Weight
- 82823.095 Da
References
- Claperon A, Rose C, Gane P, Collec E, Bertrand O, Ouimet T: The Kell protein of the common K2 phenotype is a catalytically active metalloprotease, whereas the rare Kell K1 antigen is inactive. Identification of novel substrates for the Kell protein. J Biol Chem. 2005 Jun 3;280(22):21272-83. Epub 2005 Mar 15. [PubMed:15769748]
Drug created on June 13, 2005 07:24 / Updated on August 02, 2018 04:53