Dinor-N(Omega)-Hydroxy-L-Arginine
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Identification
- Generic Name
- Dinor-N(Omega)-Hydroxy-L-Arginine
- DrugBank Accession Number
- DB02499
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 162.1472
Monoisotopic: 162.075290206 - Chemical Formula
- C4H10N4O3
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
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- Pharmacodynamics
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
- 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 l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- L-alpha-amino acids
- Alternative Parents
- N-hydroxyguanidines / Amino acids / Propargyl-type 1,3-dipolar organic compounds / Monocarboxylic acids and derivatives / Carboxylic acids / Carboximidamides / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives show 1 more
- Substituents
- Aliphatic acyclic compound / Amine / Amino acid / Carbonyl group / Carboximidamide / Carboxylic acid / Guanidine / Hydrocarbon derivative / L-alpha-amino acid / Monocarboxylic acid or derivatives show 11 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- RPHCSGPGZUWMRV-REOHCLBHSA-N
- InChI
- InChI=1S/C4H10N4O3/c5-2(3(9)10)1-7-4(6)8-11/h2,11H,1,5H2,(H,9,10)(H3,6,7,8)/t2-/m0/s1
- IUPAC Name
- (2S)-2-amino-3-[(E)-[amino(hydroxyamino)methylidene]amino]propanoic acid
- SMILES
- N[C@@H](C\N=C(/N)NO)C(O)=O
References
- General References
- Not Available
- External Links
- PDB Entries
- 1t4t
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 11.7 mg/mL ALOGPS logP -3.8 ALOGPS logP -3.7 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 1.82 Chemaxon pKa (Strongest Basic) 10.05 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 5 Chemaxon Polar Surface Area 133.96 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 46.38 m3·mol-1 Chemaxon Polarizability 14.94 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 + 0.8963 Blood Brain Barrier + 0.5872 Caco-2 permeable - 0.6631 P-glycoprotein substrate Non-substrate 0.5329 P-glycoprotein inhibitor I Non-inhibitor 0.9682 P-glycoprotein inhibitor II Non-inhibitor 0.9813 Renal organic cation transporter Non-inhibitor 0.8578 CYP450 2C9 substrate Non-substrate 0.8462 CYP450 2D6 substrate Non-substrate 0.7853 CYP450 3A4 substrate Non-substrate 0.7748 CYP450 1A2 substrate Non-inhibitor 0.9215 CYP450 2C9 inhibitor Non-inhibitor 0.9219 CYP450 2D6 inhibitor Non-inhibitor 0.9263 CYP450 2C19 inhibitor Non-inhibitor 0.9122 CYP450 3A4 inhibitor Non-inhibitor 0.8561 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9947 Ames test AMES toxic 0.7469 Carcinogenicity Non-carcinogens 0.7474 Biodegradation Not ready biodegradable 0.8416 Rat acute toxicity 2.1849 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9649 hERG inhibition (predictor II) Non-inhibitor 0.9616
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0ap3-9200000000-36208d26a010e4be8509 Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-2900000000-cb6dbb1b35644403266c Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0udi-1900000000-8d3b9fb6e34149a2e03b Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-002b-9300000000-52d12d0e29cdf8c7170e Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-8805fa3311f58391fd71 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-052f-9000000000-eca3339addc4638f07c4 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0006-9000000000-4a0c7dd671ceb84e107e 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]- 134.3139 predictedDeepCCS 1.0 (2019) [M+H]+ 137.7062 predictedDeepCCS 1.0 (2019) [M+Na]+ 147.00215 predictedDeepCCS 1.0 (2019)
Targets
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1. DetailsArginase-1
- Kind
- Protein
- Organism
- Humans
- Pharmacological action
- Unknown
- General Function
- Manganese ion binding
- Specific Function
- Not Available
- 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 July 02, 2020 13:17