Details of the Drug

General Information of Drug (ID: DMZBGI8)

Drug Name

Tilarginine acetate

Synonyms

53308-83-1; L-NMMA acetate; UNII-2FL3530AF2; 2FL3530AF2; DSSTox_RID_81122; DSSTox_CID_25780; DSSTox_GSID_45780; SMR000449329; CAS-53308-83-1; N-omega-Monomethyl-L-arginine monoacetate, 99%

Indication

Disease Entry	ICD 11	Status	REF
Myocardial infarction	BA41-BA43	Phase 3	[1]
Angina pectoris	BA40	Discontinued in Phase 2	[2]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

248.28

Topological Polar Surface Area

Not Available

Rotatable Bond Count

6

Hydrogen Bond Donor Count

5

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C9H20N4O4
IUPAC Name: acetic acid;(2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid
Canonical SMILES: CC(=O)O.CN=C(N)NCCC[C@@H](C(=O)O)N
InChI: InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m0./s1
InChIKey: IKPNWIGTWUZCKM-JEDNCBNOSA-N

Cross-matching ID

PubChem CID: 135242
CAS Number: 53308-83-1
TTD ID: D06OQI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Modulator	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Myocardial infarction

ICD Disease Classification

BA41-BA43

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Nitric-oxide synthase endothelial (NOS3)	DTT	NOS3	3.68E-01	-0.11	-0.85

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00112281) A Study of the Safety and Efficacy of Nitric Oxide Reduction in Patients With Cardiogenic Shock After a Heart Attack. U.S. National Institutes of Health.
2	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800003882)
3	Effect of tilarginine acetate in patients with acute myocardial infarction and cardiogenic shock: the TRIUMPH randomized controlled trial. JAMA. 2007 Apr 18;297(15):1657-66.
4	Counter-regulation by atorvastatin of gene modulations induced by L-NAME hypertension is associated with vascular protection. Vascul Pharmacol. 2009 Oct;51(4):253-61.
5	CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
6	Nitric oxide synthase inhibition with the antipterin VAS203 improves outcome in moderate and severe traumatic brain injury: a placebo-controlled randomized Phase IIa trial (NOSTRA). J Neurotrauma. 2014 Oct 1;31(19):1599-606.
7	Nitric oxide synthase inhibitor (MTR-105) during open-heart surgery. A pilot double-blind placebo-controlled study of hemodynamic effects and safety. Cardiology. 2008;111(3):181-7.
8	Feasibility of using autologous transplantation to evaluate hematopoietic stem cell-based gene therapy strategies in transgenic mouse models of human disease. Mol Ther. 2002 Sep;6(3):422-8.
9	Discovery of a series of aminopiperidines as novel iNOS inhibitors. Bioorg Med Chem Lett. 2008 Jan 1;18(1):336-43.
10	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
11	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.