Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- Descarboxy-nor-N(Omega)-Hydroxy-L-Arginine
- DrugBank Accession Number
- DB04197
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for Descarboxy-nor-N(Omega)-Hydroxy-L-Arginine (DB04197)
- Weight
- Average: 133.1722
Monoisotopic: 133.108936058 - Chemical Formula
- C4H13N4O
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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Not Available
- Mechanism of action
Target Actions Organism UArginase-1 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
- Adverse Effects
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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 n-hydroxyguanidines. These are compounds containing a guanidine group in which one of the hydrogens attached to the nitrogen at position 1 is substituted by a hydroxyl group.
- Kingdom
- Organic compounds
- Super Class
- Organic nitrogen compounds
- Class
- Organonitrogen compounds
- Sub Class
- Guanidines
- Direct Parent
- N-hydroxyguanidines
- Alternative Parents
- Carboximidamides / Organopnictogen compounds / Organic oxygen compounds / Monoalkylamines / Hydrocarbon derivatives / Organic cations
- Substituents
- Aliphatic acyclic compound / Amine / Carboximidamide / Hydrocarbon derivative / N-hydroxyguanidine / Organic cation / Organic oxygen compound / Organopnictogen compound / Primary aliphatic amine / Primary 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
- HYBLXYGPQAIGPY-UHFFFAOYSA-O
- InChI
- InChI=1S/C4H12N4O/c5-2-1-3-7-4(6)8-9/h9H,1-3,5H2,(H3,6,7,8)/p+1
- IUPAC Name
- (E)-N''-(3-azaniumylpropyl)-N-hydroxyguanidine
- SMILES
- N\C(NO)=N/CCC[NH3+]
References
- General References
- Not Available
- External Links
- PDB Entries
- 1t4r
Clinical Trials
- Clinical Trials
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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 4.52 mg/mL ALOGPS logP -2.9 ALOGPS logP -1.7 Chemaxon logS -1.6 ALOGPS pKa (Strongest Acidic) 14.82 Chemaxon pKa (Strongest Basic) 10.31 Chemaxon Physiological Charge 2 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 98.28 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 56.71 m3·mol-1 Chemaxon Polarizability 14.41 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 - 0.657 Blood Brain Barrier + 0.7395 Caco-2 permeable - 0.5968 P-glycoprotein substrate Non-substrate 0.561 P-glycoprotein inhibitor I Non-inhibitor 0.9588 P-glycoprotein inhibitor II Non-inhibitor 0.8737 Renal organic cation transporter Non-inhibitor 0.6822 CYP450 2C9 substrate Non-substrate 0.813 CYP450 2D6 substrate Non-substrate 0.7114 CYP450 3A4 substrate Non-substrate 0.7819 CYP450 1A2 substrate Non-inhibitor 0.8214 CYP450 2C9 inhibitor Non-inhibitor 0.8459 CYP450 2D6 inhibitor Non-inhibitor 0.8572 CYP450 2C19 inhibitor Non-inhibitor 0.8101 CYP450 3A4 inhibitor Non-inhibitor 0.8258 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9673 Ames test AMES toxic 0.7668 Carcinogenicity Non-carcinogens 0.7481 Biodegradation Not ready biodegradable 0.6101 Rat acute toxicity 2.4276 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.7627 hERG inhibition (predictor II) Non-inhibitor 0.8917
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-001i-9100000000-27c51905fb6b57f70c7d 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]- 132.27849 predictedDeepCCS 1.0 (2019) [M+H]+ 134.52107 predictedDeepCCS 1.0 (2019) [M+Na]+ 143.35756 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Key element of the urea cycle converting L-arginine to urea and L-ornithine, which is further metabolized into metabolites proline and polyamides that drive collagen synthesis and bioenergetic pathways critical for cell proliferation, respectively; the urea cycle takes place primarily in the liver and, to a lesser extent, in the kidneys
- Specific Function
- Arginase activity
- Gene Name
- ARG1
- Uniprot ID
- P05089
- Uniprot Name
- Arginase-1
- Molecular Weight
- 34734.655 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. [Article]
- 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. [Article]
- Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. [Article]
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52