Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMDEMV8)

• Drug Name: 4-Hydroxy-3-nonanoyl-6-octyl-pyran-2-one Drug Info
• Synonyms: CHEMBL7816; 4-Hydroxy-3-nonanoyl-6-octyl-pyran-2-one; SCHEMBL10337787

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 54737457
  TTD Drug ID: DMDEMV8

Molecule-Related Drug Atlas

Drug(s) Targeting Neutrophil elastase (NE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sivelestat sodium hydrate	DMOSJD0	Acute lung injury	NB32.3	Phase 4	[2]
Epigallocatechin gallate	DMCGWBJ	Hepatic fibrosis	DB93.0	Phase 3	[3]
Sivelestat	DM6BZCV	Crohn disease	DD70	Phase 3	[4]
Tiprelestat	DM1SB94	Myocardial infarction	BA41-BA43	Phase 2	[5]
AZD9668	DMB87M3	Bronchiectasis	CA24	Phase 2	[6]
L-694,458	DMA0DSJ	Cystic fibrosis	CA25	Phase 2	[7]
BAY 85-8501	DMCPUKG	Bronchiectasis	CA24	Phase 2	[8]
DX-890	DMBFZET	Acute lung injury	NB32.3	Phase 2	[2]
POL-6014	DM9B68S	Cystic fibrosis	CA25	Phase 1	[9]
AZD-9819	DMWYHXG	Chronic obstructive pulmonary disease	CA22	Phase 1	[10]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Neutrophil elastase (NE)	TTPLTSQ	ELNE_HUMAN	Inhibitor	[1]

References

• [1] Inhibition of human sputum elastase by substituted 2-pyrones. J Med Chem. 1987 Jun;30(6):1017-23.
• [2] Emerging therapies for treatment of acute lung injury and acute respiratory distress syndrome. Expert Opin Emerg Drugs. 2007 Sep;12(3):461-77.
• [3] Evaluation of human neutrophil elastase inhibitory effect of iridoid glycosides from Hedyotis diffusa. Bioorg Med Chem Lett. 2010 Jan 15;20(2):513-5.
• [4] Neutrophil elastase inhibitor (sivelestat) reduces the levels of inflammatory mediators by inhibiting NF-kB. Inflamm Res. 2009 Apr;58(4):198-203.
• [5] Company report (Proteo Biotech AG)
• [6] Clinical pipeline report, company report or official report of AstraZeneca (2009).
• [7] Neutrophil elastase inhibitors as treatment for COPD. Expert Opin Investig Drugs. 2002 Jul;11(7):965-80.
• [8] Freezing the Bioactive Conformation to Boost Potency: The Identification of BAY 5-8501, a Selective and Potent Inhibitor of Human Neutrophil Elastase for Pulmonary Diseases. ChemMedChem. 2015 Jul;10(7):1163-73.
• [9] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 2358).
• [10] Lipid Peroxide-Mediated Oxidative Rearrangement of the Pyrazinone Carboxamide Core of Neutrophil Elastase Inhibitor AZD9819 in Blood Plasma Samples. Drug Metab Dispos. 2015 Oct;43(10):1441-9.