NAV

Tilarginine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Tilarginine
DrugBank Accession Number
DB11815
Background

Tilarginine has been investigated for the basic science, treatment, and diagnostic of Obesity, Type 2 Diabetes, Ocular Physiology, and Regional Blood Flow.

Type
Small Molecule
Groups
Approved, Investigational
Structure
3D
Similar Structures
Weight
Average: 188.2275
Monoisotopic: 188.127325776
Chemical Formula
C7H16N4O2
Synonyms
  • L-Monomethylarginine
  • L-Ng-monomethyl Arginine
  • L-NMMA
  • N-Methylarginine
  • N-Monomethyl-L-arginine
  • N(G)-Methylarginine
  • N(G)-Monomethyl-L-arginine
  • N5-(Methylamidino)-L-ornithine
  • NG-Monomethyl-L-arginine
  • omega-N-Methylarginine
  • omega-N-Monomethylarginine
  • Targinine
  • Tilarginine
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
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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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

Products

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Product Ingredients
IngredientUNIICASInChI Key
Tilarginine acetate2FL3530AF253308-83-1IKPNWIGTWUZCKM-JEDNCBNOSA-N
Tilarginine citrateO529X01226209913-88-2YKWLPIRSUICUFT-JEDNCBNOSA-N
Tilarginine hydrochloride0MT60FH25O156706-47-7QYGXVJHXZUSLQC-JEDNCBNOSA-N

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as arginine and derivatives. These are compounds containing arginine or a derivative thereof resulting from reaction of arginine at the amino group or the carboxy group, or from the replacement of any hydrogen of glycine by a heteroatom.
Kingdom
Organic compounds
Super Class
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Sub Class
Amino acids, peptides, and analogues
Direct Parent
Arginine and derivatives
Alternative Parents
L-alpha-amino acids / Fatty acids and conjugates / Guanidines / Amino acids / Monocarboxylic acids and derivatives / Carboxylic acids / Carboximidamides / Organopnictogen compounds / Organic oxides / Monoalkylamines
show 3 more
Substituents
Aliphatic acyclic compound / Alpha-amino acid / Amine / Amino acid / Arginine or derivatives / Carbonyl group / Carboximidamide / Carboxylic acid / Fatty acid / Guanidine
show 12 more
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
guanidines, non-proteinogenic L-alpha-amino acid, L-arginine derivative (CHEBI:28229)
Affected organisms
Not Available

Chemical Identifiers

UNII
27JT06E6GR
CAS number
17035-90-4
InChI Key
NTNWOCRCBQPEKQ-YFKPBYRVSA-N
InChI
InChI=1S/C7H16N4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11)/t5-/m0/s1
IUPAC Name
(2S)-2-amino-5-(N'-methylcarbamimidamido)pentanoic acid
SMILES
CNC(=N)NCCC[C@H](N)C(O)=O

References

General References
Not Available
Human Metabolome Database
HMDB0029416
KEGG Compound
C03884
PubChem Compound
132862
PubChem Substance
347828162
ChemSpider
117259
BindingDB
92900
ChEBI
60257
ChEMBL
CHEMBL256147
ZINC
ZINC000001529776
PDBe Ligand
NMM
Wikipedia
Methylarginine
PDB Entries
2v85 / 3kb7 / 4kuk / 5dwq / 5dx1 / 5dx8 / 5dxa / 5fbj / 5tdc / 5va6 …
show 14 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedBasic ScienceHealthy Volunteers (HV) / Obstructive Sleep Apnea (OSA)1
4CompletedOtherObesity1
4CompletedTreatmentType 2 Diabetes Mellitus1
3TerminatedTreatmentShock, Cardiogenic1
2CompletedTreatmentEndothelium-Derived Relaxing Factor / Healthy Volunteers (HV) / Nitric Oxide1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility1.45 mg/mLALOGPS
logP-3.5ALOGPS
logP-2.9Chemaxon
logS-2.1ALOGPS
pKa (Strongest Acidic)2.48Chemaxon
pKa (Strongest Basic)12.64Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count6Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area111.23 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity58.7 m3·mol-1Chemaxon
Polarizability19.79 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-00du-9300000000-8a5d10c2c8d6cd8eae8e
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0079-2900000000-e5dac38f681865781e85
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-001i-0900000000-0fb482f966cc3830ac63
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-03di-1900000000-10d9fbb74d10bda031a4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9100000000-e3250931741693ddfe5b
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00di-9100000000-e357fab68b97ca578005
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9000000000-e3b4eda3c45c76779261
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]-152.3628149
predicted
DarkChem Lite v0.1.0
[M-H]-152.3080149
predicted
DarkChem Lite v0.1.0
[M-H]-152.2598149
predicted
DarkChem Lite v0.1.0
[M-H]-139.66655
predicted
DeepCCS 1.0 (2019)
[M+H]+153.4597149
predicted
DarkChem Lite v0.1.0
[M+H]+153.6772149
predicted
DarkChem Lite v0.1.0
[M+H]+154.5586149
predicted
DarkChem Lite v0.1.0
[M+H]+143.4939
predicted
DeepCCS 1.0 (2019)
[M+Na]+153.1401149
predicted
DarkChem Lite v0.1.0
[M+Na]+152.9527149
predicted
DarkChem Lite v0.1.0
[M+Na]+152.7697149
predicted
DarkChem Lite v0.1.0
[M+Na]+152.72455
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 20:50 / Updated at April 12, 2023 21:53