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
Logarithm of the Partition Coefficient 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
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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]
Molecular Interaction Atlas (MIA) 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) 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.