N(2)-succinyl-L-arginine
Star0
Identification
- Generic Name
- N(2)-succinyl-L-arginine
- DrugBank Accession Number
- DB02501
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 274.2737
Monoisotopic: 274.127719706 - Chemical Formula
- C10H18N4O5
- Synonyms
- N2-Succinyl-L-arginine
- Succinyl-arginine
- Succinylarginine
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-l-alpha-amino acids. These are n-acylated 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
- N-acyl-L-alpha-amino acids
- Alternative Parents
- N-acyl amines / Fatty acids and conjugates / Dicarboxylic acids and derivatives / Secondary carboxylic acid amides / Guanidines / Propargyl-type 1,3-dipolar organic compounds / Carboxylic acids / Carboximidamides / Organopnictogen compounds / Organic oxides show 2 more
- Substituents
- Aliphatic acyclic compound / Carbonyl group / Carboxamide group / Carboximidamide / Carboxylic acid / Dicarboxylic acid or derivatives / Fatty acid / Fatty acyl / Fatty amide / Guanidine show 12 more
- Molecular Framework
- Aliphatic acyclic compounds
- External Descriptors
- N-acyl-L-arginine (CHEBI:17705)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Not Available
- CAS number
- Not Available
- InChI Key
- UMOXFSXIFQOWTD-LURJTMIESA-N
- InChI
- InChI=1S/C10H18N4O5/c11-10(12)13-5-1-2-6(9(18)19)14-7(15)3-4-8(16)17/h6H,1-5H2,(H,14,15)(H,16,17)(H,18,19)(H4,11,12,13)/t6-/m0/s1
- IUPAC Name
- (2S)-5-carbamimidamido-2-[(3-carboxy-1-hydroxypropylidene)amino]pentanoic acid
- SMILES
- NC(=N)NCCC[C@H](NC(=O)CCC(O)=O)C(O)=O
References
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 0.41 mg/mL ALOGPS logP -1.5 ALOGPS logP -3 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 3.23 Chemaxon pKa (Strongest Basic) 12.16 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 9 Chemaxon Hydrogen Donor Count 6 Chemaxon Polar Surface Area 169.09 Å2 Chemaxon Rotatable Bond Count 9 Chemaxon Refractivity 74.78 m3·mol-1 Chemaxon Polarizability 26.29 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 1 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon - Predicted ADMET Features
Property Value Probability Human Intestinal Absorption - 0.6327 Blood Brain Barrier + 0.8621 Caco-2 permeable - 0.8126 P-glycoprotein substrate Non-substrate 0.5821 P-glycoprotein inhibitor I Non-inhibitor 0.949 P-glycoprotein inhibitor II Non-inhibitor 0.934 Renal organic cation transporter Non-inhibitor 0.8557 CYP450 2C9 substrate Non-substrate 0.8137 CYP450 2D6 substrate Non-substrate 0.7836 CYP450 3A4 substrate Non-substrate 0.7292 CYP450 1A2 substrate Non-inhibitor 0.9219 CYP450 2C9 inhibitor Non-inhibitor 0.8893 CYP450 2D6 inhibitor Non-inhibitor 0.9195 CYP450 2C19 inhibitor Non-inhibitor 0.8536 CYP450 3A4 inhibitor Non-inhibitor 0.8468 CYP450 inhibitory promiscuity Low CYP Inhibitory Promiscuity 0.9956 Ames test Non AMES toxic 0.5886 Carcinogenicity Non-carcinogens 0.9411 Biodegradation Ready biodegradable 0.915 Rat acute toxicity 1.8561 LD50, mol/kg Not applicable hERG inhibition (predictor I) Weak inhibitor 0.9831 hERG inhibition (predictor II) Non-inhibitor 0.9623
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-004i-0920000000-27ba93af18a4674b7ede Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0089-0790000000-6973a6ec5fef76549869 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-03di-0900000000-859bae35b0ca41578238 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-00b9-0920000000-96989205094c8a6fcca2 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-01t9-1900000000-b0aa3d6368b56a95b45a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0006-9400000000-eaf2678201571de24d41 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]- 179.0644243 predictedDarkChem Lite v0.1.0 [M-H]- 157.3281 predictedDeepCCS 1.0 (2019) [M+H]+ 177.8304243 predictedDarkChem Lite v0.1.0 [M+H]+ 159.6861 predictedDeepCCS 1.0 (2019) [M+Na]+ 178.4284243 predictedDarkChem Lite v0.1.0 [M+Na]+ 165.77925 predictedDeepCCS 1.0 (2019)
Targets
Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock newinsights and accelerate drug research.
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
1. DetailsN-succinylarginine dihydrolase
- Kind
- Protein
- Organism
- Escherichia coli (strain K12)
- Pharmacological action
- Unknown
- General Function
- N-succinylarginine dihydrolase activity
- Specific Function
- Catalyzes the hydrolysis of N(2)-succinylarginine into N(2)-succinylornithine, ammonia and CO(2).
- 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 July 02, 2020 13:17