TILARGININE

Search structure
Synonyms:
Status: Phase 3
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 27JT06E6GR

Structure
InChI Key NTNWOCRCBQPEKQ-UHFFFAOYSA-N
Smile CNC(=N)NCCCC(N)C(=O)O
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)

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H16N4O2
Molecular Weight 188.23
AlogP -1.08
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 5.0
Number of Rotational Bond 5.0
Polar Surface Area 111.23
Molecular species ZWITTERION
Aromatic Rings 0.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Nitric oxide synthase inhibitor
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Isomerase
- - - 29670 -
Enzyme Oxidoreductase
- 90-10000 - 200-10000 -
Enzyme
- 1.8-170000000 - 200-10000 -
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - 4.08-15.49
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 94.97

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Anemia, Sickle Cell 2 D000755 ClinicalTrials
Hyperlipidemias 2 D006949 ClinicalTrials
Anemia 2 D000740 ClinicalTrials
Sarcopenia 1 D055948 ClinicalTrials
Breast Neoplasms 1 D001943 ClinicalTrials
Endotoxemia 1 D019446 ClinicalTrials
Heart Failure 1 D006333 ClinicalTrials
Hypertension 1 D006973 ClinicalTrials
Liver Cirrhosis 1 D008103 ClinicalTrials
HIV Infections 1 D015658 ClinicalTrials
Hypoxia 1 D000860 ClinicalTrials

Cross References

Resources Reference
ChEBI 28229
ChEMBL CHEMBL256147
DrugBank DB11815
EPA CompTox DTXSID3040560
FDA SRS 27JT06E6GR
Human Metabolome Database HMDB29416
KEGG C03884
PDB NMM
PubChem 132862
SureChEMBL SCHEMBL315843
ZINC ZINC000001529776
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