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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)-2-{[hydroxy({[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy})phosphoryl]amino}-4-methylpentanamido]-3-(1H-indol-3-yl)propanoic acid
- SMILES
- CC(C)C[C@H](NP(O)(=O)O[C@@H]1O[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O)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 inhibitorHumans UKell blood group glycoprotein Not Available Humans - 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
- 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
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
- ZINC
- ZINC000004475339
- Therapeutic Targets Database
- DNC001121
- PDBe Ligand
- 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 0.839 mg/mL ALOGPS logP -0.04 ALOGPS logP 0.16 ChemAxon logS -2.8 ALOGPS pKa (Strongest Acidic) 2.48 ChemAxon pKa (Strongest Basic) -3.6 ChemAxon Physiological Charge -2 ChemAxon Hydrogen Acceptor Count 9 ChemAxon Hydrogen Donor Count 8 ChemAxon Polar Surface Area 210.67 Å2 ChemAxon Rotatable Bond Count 11 ChemAxon Refractivity 128.94 m3·mol-1 ChemAxon Polarizability 53.03 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
- Humans
- 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
- Humans
- 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 April 02, 2020 02:13
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