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

General Information of Drug (ID: DMST0IN)

• Drug Name: PMID21907142CJ Drug Info
• Synonyms: Example 1 (WO2011029803); GTPL7854; BDBM50432632

Indication

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

• Cross-matching ID:
  PubChem CID: 50938551
  TTD Drug ID: DMST0IN

Molecule-Related Drug Atlas

Drug(s) Targeting Beta-site APP-cleaving enzyme 2 (BACE2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
example 98 (WO2011020806)	DM2N653	Focal segmental glomerulosclerosis	MF8Y	Clinical trial	[2]
example 2 (WO2013004676)	DMU25HZ	Discovery agent	N.A.	Investigative	[3]
example 20 (WO2010128058)	DMF9W41	Discovery agent	N.A.	Investigative	[4]
example 41 (WO2012028563)	DM2N9Y8	Discovery agent	N.A.	Investigative	[4]
2ewy	DMNOAJG	Discovery agent	N.A.	Investigative	[5]
example 92 (WO2012095521)	DMU42CR	Discovery agent	N.A.	Investigative	[4]

Drug(s) Targeting Beta-secretase (BACE)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
(S)-FLURBIPROFEN	DMF2O4T	Myalgia	FB56.2	Preregistration	[6]
E-2609	DMTNUJ8	Alzheimer disease	8A20	Phase 3	[7]
verubecestat	DM4CGH5	Alzheimer disease	8A20	Phase 3	[8]
Lanabecestat	DMFJLB6	Alzheimer disease	8A20	Phase 3	[9]
AZD3293	DMJQHXD	Alzheimer disease	8A20	Phase 2/3	[10]
JNJ-54861911	DMGPJ5U	Alzheimer disease	8A20	Phase 2/3	[9]
R-flurbiprofen	DMFIVSR	N. A.	N. A.	Phase 2	[6]
LY2886721	DMV14LM	Alzheimer disease	8A20	Phase 2	[11]
LY3202626	DM7IFNB	Alzheimer disease	8A20	Phase 2	[9]
AZD-3839	DM72FOD	Alzheimer disease	8A20	Phase 1	[12]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Beta-secretase (BACE)	TT8JRS7	NOUNIPROTAC	Inhibitor	[1]
Beta-site APP-cleaving enzyme 2 (BACE2)	TT69DB8	BACE2_HUMAN	Inhibitor	[1]

References

• [1] Bace2 is a beta cell-enriched protease that regulates pancreatic beta cell function and mass. Cell Metab. 2011 Sep 7;14(3):365-77.
• [2] BACE2 as a new diabetes target: a patent review (2010 - 2012). Expert Opin Ther Pat. 2013 May;23(5):649-63.
• [3] Cyclopropyl-Fused 1,3-Thiazepines as BACE1 and BACE2 Inhibitors. ACS Med Chem Lett. 2013 Mar 15;4(4):379-80.
• [4] 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: 2331).
• [5] Crystal structure of human BACE2 in complex with a hydroxyethylamine transition-state inhibitor. J Mol Biol. 2006 Jan 13;355(2):249-61.
• [6] The geminal dimethyl analogue of Flurbiprofen as a novel Abeta42 inhibitor and potential Alzheimer's disease modifying agent. Bioorg Med Chem Lett. 2006 Apr 15;16(8):2219-23.
• [7] Targeting the beta secretase BACE1 for Alzheimer's disease therapy. Lancet Neurol. 2014 March; 13(3): 319-329.
• [8] BACE1 inhibitor drugs in clinical trials for Alzheimer's disease. Alzheimers Res Ther. 2014 Dec 24;6(9):89.
• [9] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [10] AZD3293 A novel BACE1 inhibitor: safety, tolerability, and effects on plasma and CSF A-beta peptides following single- and multiple-dose administration. Neurobiology of Aging. May 20, 2008.
• [11] Lessons from a BACE1 inhibitor trial: off-site but not off base.Alzheimers Dement.2014 Oct;10(5 Suppl):S411-9.
• [12] Discovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease. J Biol Chem. 2012 Nov 30;287(49):41245-57.