Norleucine Phosphonate
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Identification
- Generic Name
- Norleucine Phosphonate
- DrugBank Accession Number
- DB02088
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 167.1433
Monoisotopic: 167.071129831 - Chemical Formula
- C5H14NO3P
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UMethionine aminopeptidase 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.Not Available
- Food Interactions
- Not Available
Categories
- Drug Categories
- Not Available
- 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
- Organopnictogen compounds / Organophosphorus compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives
- Substituents
- Aliphatic acyclic compound / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound / Organonitrogen compound / Organophosphonic acid / Organophosphorus compound / Organopnictogen compound / Primary aliphatic amine
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- NXTPDFMZKSLVRK-RXMQYKEDSA-N
- InChI
- InChI=1S/C5H14NO3P/c1-2-3-4-5(6)10(7,8)9/h5H,2-4,6H2,1H3,(H2,7,8,9)/t5-/m1/s1
- IUPAC Name
- [(1R)-1-aminopentyl]phosphonic acid
- SMILES
- CCCC[C@H](N)P(O)(O)=O
References
- General References
- Not Available
- External Links
- PubChem Compound
- 444720
- PubChem Substance
- 46507940
- ChemSpider
- 392568
- ZINC
- ZINC000002047313
- PDBe Ligand
- NLP
- PDB Entries
- 1c27 / 2gtx / 2gu4 / 2gu5 / 2gu6
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 31.7 mg/mL ALOGPS logP -0.31 ALOGPS logP -1.3 Chemaxon logS -0.72 ALOGPS pKa (Strongest Acidic) -0.24 Chemaxon pKa (Strongest Basic) 10.24 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 83.55 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 38.92 m3·mol-1 Chemaxon Polarizability 15.96 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 + 0.6674 Blood Brain Barrier + 0.772 Caco-2 permeable - 0.6471 P-glycoprotein substrate Non-substrate 0.5486 P-glycoprotein inhibitor I Non-inhibitor 0.9513 P-glycoprotein inhibitor II Non-inhibitor 0.9934 Renal organic cation transporter Non-inhibitor 0.9465 CYP450 2C9 substrate Non-substrate 0.7382 CYP450 2D6 substrate Non-substrate 0.7581 CYP450 3A4 substrate Non-substrate 0.7145 CYP450 1A2 substrate Non-inhibitor 0.7597 CYP450 2C9 inhibitor Non-inhibitor 0.8742 CYP450 2D6 inhibitor Non-inhibitor 0.8938 CYP450 2C19 inhibitor Non-inhibitor 0.8554 CYP450 3A4 inhibitor Non-inhibitor 0.8773 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9473 Ames test Non AMES toxic 0.7552 Carcinogenicity Non-carcinogens 0.7038 Biodegradation Not ready biodegradable 0.6795 Rat acute toxicity 1.9130 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9112 hERG inhibition (predictor II) Non-inhibitor 0.9254
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-03gr-9300000000-38f3ab66b82df8a08cec Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-3900000000-855a474bb4956ac50a41 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-4900000000-ac7c4bee88a6c0d044c7 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-d6b6f6f07cee6385abe7 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014r-9100000000-3fc24595daebaf6afe9b Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-004i-9000000000-7ab12573fa86d8642a4c Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0aou-9000000000-fd52a36c9edd6056816a 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]- 127.88788 predictedDeepCCS 1.0 (2019) [M+H]+ 131.6546 predictedDeepCCS 1.0 (2019) [M+Na]+ 140.4047 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsMethionine aminopeptidase
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Metalloaminopeptidase activity
- Specific Function
- Removes the N-terminal methionine from nascent proteins. The N-terminal methionine is often cleaved when the second residue in the primary sequence is small and uncharged (Met-Ala-, Cys, Gly, Pro, ...
- Gene Name
- map
- Uniprot ID
- P0AE18
- Uniprot Name
- Methionine aminopeptidase
- Molecular Weight
- 29330.585 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52