Explore a selection of our essential drug information below, or:
Identification
- Generic Name
- N~2~-Succinylornithine
- DrugBank Accession Number
- DB03582
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
Structure for N~2~-Succinylornithine (DB03582)
- Weight
- Average: 232.2337
Monoisotopic: 232.105921632 - Chemical Formula
- C9H16N2O5
- Synonyms
- Not Available
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API- Pharmacodynamics
Not Available
- Mechanism of action
Target Actions Organism UN-succinylarginine dihydrolase 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 n-acyl-alpha amino acids. These are compounds containing an alpha amino acid which bears an acyl group at its terminal nitrogen atom.
- Kingdom
- Organic compounds
- Super Class
- Organic acids and derivatives
- Class
- Carboxylic acids and derivatives
- Sub Class
- Amino acids, peptides, and analogues
- Direct Parent
- N-acyl-alpha amino acids
- Alternative Parents
- Fatty acids and conjugates / Dicarboxylic acids and derivatives / Amino acids / Propargyl-type 1,3-dipolar organic compounds / Carboxylic acids / Carboximidic acids / Organopnictogen compounds / Organic oxides / Monoalkylamines / Hydrocarbon derivatives show 1 more
- Substituents
- Aliphatic acyclic compound / Amine / Amino acid / Carbonyl group / Carboximidic acid / Carboximidic acid derivative / Carboxylic acid / Dicarboxylic acid or derivatives / Fatty acid / Hydrocarbon derivative show 11 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- N2-acyl-L-ornithine (CHEBI:27574)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- VWXQFHJBQHTHMK-LURJTMIESA-N
- InChI
- InChI=1S/C9H16N2O5/c10-5-1-2-6(9(15)16)11-7(12)3-4-8(13)14/h6H,1-5,10H2,(H,11,12)(H,13,14)(H,15,16)/t6-/m0/s1
- IUPAC Name
- (2S)-5-amino-2-(3-carboxypropanamido)pentanoic acid
- SMILES
- NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
References
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 19.3 mg/mL ALOGPS logP -3.4 ALOGPS logP -4.1 Chemaxon logS -1.1 ALOGPS pKa (Strongest Acidic) 3.32 Chemaxon pKa (Strongest Basic) 9.9 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 129.72 Å2 Chemaxon Rotatable Bond Count 8 Chemaxon Refractivity 53.55 m3·mol-1 Chemaxon Polarizability 22.77 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 - 0.6013 Blood Brain Barrier + 0.9148 Caco-2 permeable - 0.867 P-glycoprotein substrate Non-substrate 0.6797 P-glycoprotein inhibitor I Non-inhibitor 0.9554 P-glycoprotein inhibitor II Non-inhibitor 0.9791 Renal organic cation transporter Non-inhibitor 0.9384 CYP450 2C9 substrate Non-substrate 0.8703 CYP450 2D6 substrate Non-substrate 0.8286 CYP450 3A4 substrate Non-substrate 0.7327 CYP450 1A2 substrate Non-inhibitor 0.9699 CYP450 2C9 inhibitor Non-inhibitor 0.9608 CYP450 2D6 inhibitor Non-inhibitor 0.9619 CYP450 2C19 inhibitor Non-inhibitor 0.9533 CYP450 3A4 inhibitor Non-inhibitor 0.9115 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9959 Ames test Non AMES toxic 0.6345 Carcinogenicity Non-carcinogens 0.9229 Biodegradation Ready biodegradable 0.9245 Rat acute toxicity 1.2995 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9918 hERG inhibition (predictor II) Non-inhibitor 0.971
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted GC-MS Spectrum - GC-MS Predicted GC-MS splash10-0ff0-9610000000-1af67530deea92b41b8f Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00lr-1940000000-0db398bbc0b04e4810ef Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-003r-1950000000-ad6a49b28d145f213b25 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-01ur-1900000000-c14c6e8547f95451f30e Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-00kr-9700000000-bace60e484ddb222afa0 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-000i-9100000000-493a65571d59e17c6da2 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-01po-9300000000-bb0bbe03176af00108d8 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]- 163.3828457 predictedDarkChem Lite v0.1.0 [M-H]- 146.21031 predictedDeepCCS 1.0 (2019) [M+H]+ 163.4253457 predictedDarkChem Lite v0.1.0 [M+H]+ 148.56831 predictedDeepCCS 1.0 (2019) [M+Na]+ 163.0883457 predictedDarkChem Lite v0.1.0 [M+Na]+ 156.73695 predictedDeepCCS 1.0 (2019)
Targets
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- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- Catalyzes the hydrolysis of N(2)-succinylarginine into N(2)-succinylornithine, ammonia and CO(2).
- Specific Function
- N-succinylarginine dihydrolase activity
- Gene Name
- astB
- Uniprot ID
- P76216
- Uniprot Name
- N-succinylarginine dihydrolase
- Molecular Weight
- 49298.18 Da
References
Drug created at June 13, 2005 13:24 / Updated at June 12, 2020 16:52