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
Thumb
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

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
Improve decision support & research outcomes
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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

Products2
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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-(3-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 8 more

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
4CompletedBasic ScienceHealthy Subjects (HS) / Obstructive Sleep Apnea (OSA)1
4CompletedOtherObesity (Disorder)1
4CompletedTreatmentType 2 Diabetes Mellitus1
3TerminatedTreatmentShock, Cardiogenic1
2CompletedTreatmentEndothelium-Derived Relaxing Factor / Healthy Subjects (HS) / Nitric Oxide1
2CompletedTreatmentPhysiology, Ocular / Regional Blood Flow1
2CompletedTreatmentSickle Cell Anemia1
2CompletedTreatmentSickle Cell Disease (SCD)1
2RecruitingTreatmentBreast Cancer (Triple Negative Breast Cancer (TNBC))1
2TerminatedDiagnosticHyperlipidemias1

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
Polarizability20.01 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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Drug created at October 20, 2016 20:50 / Updated at February 21, 2021 18:53