NAV

N(2)-succinyl-L-arginine

Identification

Generic Name
N(2)-succinyl-L-arginine
DrugBank Accession Number
DB02501
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 274.2737
Monoisotopic: 274.127719706
Chemical Formula
C10H18N4O5
Synonyms
  • N2-Succinyl-L-arginine
  • Succinyl-arginine
  • Succinylarginine
Poor quality drug data slowing you down?
Unlock 38% more drug discovery time and eliminate decision-making doubts with this one-stop guide to quality drug data.
Download eBook
Poor quality drug data slowing you down?
Download eBook

Pharmacology

Indication

Not Available

Reduce drug development failure rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
Pharmacodynamics

Not Available

Mechanism of action
TargetActionsOrganism
UN-succinylarginine dihydrolaseNot AvailableEscherichia 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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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

General References
Not Available
KEGG Compound
C03296
PubChem Compound
439968
PubChem Substance
46507643
ChemSpider
388993
ChEBI
17705
ZINC
ZINC000001529628
PDBe Ligand
SUG
PDB Entries
1yni / 2p8c

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.41 mg/mLALOGPS
logP-1.5ALOGPS
logP-3Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)3.23Chemaxon
pKa (Strongest Basic)12.16Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area169.09 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity74.78 m3·mol-1Chemaxon
Polarizability26.29 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
PropertyValueProbability
Human Intestinal Absorption-0.6327
Blood Brain Barrier+0.8621
Caco-2 permeable-0.8126
P-glycoprotein substrateNon-substrate0.5821
P-glycoprotein inhibitor INon-inhibitor0.949
P-glycoprotein inhibitor IINon-inhibitor0.934
Renal organic cation transporterNon-inhibitor0.8557
CYP450 2C9 substrateNon-substrate0.8137
CYP450 2D6 substrateNon-substrate0.7836
CYP450 3A4 substrateNon-substrate0.7292
CYP450 1A2 substrateNon-inhibitor0.9219
CYP450 2C9 inhibitorNon-inhibitor0.8893
CYP450 2D6 inhibitorNon-inhibitor0.9195
CYP450 2C19 inhibitorNon-inhibitor0.8536
CYP450 3A4 inhibitorNon-inhibitor0.8468
CYP450 inhibitory promiscuityLow CYP Inhibitory Promiscuity0.9956
Ames testNon AMES toxic0.5886
CarcinogenicityNon-carcinogens0.9411
BiodegradationReady biodegradable0.915
Rat acute toxicity1.8561 LD50, mol/kg Not applicable
hERG inhibition (predictor I)Weak inhibitor0.9831
hERG inhibition (predictor II)Non-inhibitor0.9623
ADMET data is predicted using admetSAR, a free tool for evaluating chemical ADMET properties. (23092397)

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-004i-0920000000-27ba93af18a4674b7ede
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0089-0790000000-6973a6ec5fef76549869
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-03di-0900000000-859bae35b0ca41578238
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00b9-0920000000-96989205094c8a6fcca2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01t9-1900000000-b0aa3d6368b56a95b45a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9400000000-eaf2678201571de24d41
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-179.0644243
predicted
DarkChem Lite v0.1.0
[M-H]-157.3281
predicted
DeepCCS 1.0 (2019)
[M+H]+177.8304243
predicted
DarkChem Lite v0.1.0
[M+H]+159.6861
predicted
DeepCCS 1.0 (2019)
[M+Na]+178.4284243
predicted
DarkChem Lite v0.1.0
[M+Na]+165.77925
predicted
DeepCCS 1.0 (2019)

Targets

Build, predict & validate machine-learning models
Use our structured and evidence-based datasets to unlock new
insights and accelerate drug research.
Learn more
Use our structured and evidence-based datasets to unlock new insights and accelerate drug research.
Learn more
Details1. N-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
  1. Overington JP, Al-Lazikani B, Hopkins AL: How many drug targets are there? Nat Rev Drug Discov. 2006 Dec;5(12):993-6. [Article]
  2. 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]

Drug created at June 13, 2005 13:24 / Updated at July 02, 2020 13:17