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

General Information of Drug (ID: DMJE83O)

• Drug Name: (2S,3R)-2-(benzyloxy)-3-methoxycyclohexanone Drug Info
• Synonyms: CHEMBL212678; (2S,3R)-2-(benzyloxy)-3-methoxycyclohexanone; BDBM50186510

Indication

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

• Cross-matching ID:
  PubChem CID: 44413811
  TTD Drug ID: DMJE83O

Molecule-Related Drug Atlas

Drug(s) Targeting Presenilin 1 (PSEN1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
(S)-FLURBIPROFEN	DMF2O4T	Myalgia	FB56.2	Preregistration	[2]
R-flurbiprofen	DMFIVSR	N. A.	N. A.	Phase 2	[2]
(5R,6S)-5,6-bis(benzyloxy)cyclohex-2-enone	DMREVX9	Discovery agent	N.A.	Investigative	[1]
(5R,6S)-6-(benzyloxy)-5-methoxycyclohex-2-enone	DMHG7MU	Discovery agent	N.A.	Investigative	[1]
Drug 311951	DMXTCJ1	Discovery agent	N.A.	Investigative	[3]
Drug 311383	DM5QUJV	Discovery agent	N.A.	Investigative	[3]
1-benzoyl-2-benzyl-1,2-dihydropyridin-3(6H)-one	DMF9X2T	Discovery agent	N.A.	Investigative	[1]
Drug 311952	DM27ILS	Discovery agent	N.A.	Investigative	[3]
Drug 311440	DMOIFBK	Discovery agent	N.A.	Investigative	[3]
1-Chloro-4-(1-phenyl-cyclohexanesulfonyl)-benzene	DM13HGN	Discovery agent	N.A.	Investigative	[4]

Drug(s) Targeting Presenilin 2 (PSEN2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
(S)-FLURBIPROFEN	DMF2O4T	Myalgia	FB56.2	Preregistration	[2]
R-flurbiprofen	DMFIVSR	N. A.	N. A.	Phase 2	[2]
(5R,6S)-5,6-bis(benzyloxy)cyclohex-2-enone	DMREVX9	Discovery agent	N.A.	Investigative	[1]
(5R,6S)-6-(benzyloxy)-5-methoxycyclohex-2-enone	DMHG7MU	Discovery agent	N.A.	Investigative	[1]
Drug 311951	DMXTCJ1	Discovery agent	N.A.	Investigative	[3]
Drug 311383	DM5QUJV	Discovery agent	N.A.	Investigative	[3]
1-benzoyl-2-benzyl-1,2-dihydropyridin-3(6H)-one	DMF9X2T	Discovery agent	N.A.	Investigative	[1]
Drug 311952	DM27ILS	Discovery agent	N.A.	Investigative	[3]
Drug 311440	DMOIFBK	Discovery agent	N.A.	Investigative	[3]
1-Chloro-4-(1-phenyl-cyclohexanesulfonyl)-benzene	DM13HGN	Discovery agent	N.A.	Investigative	[4]

Drug(s) Targeting Gamma-secretase (GS)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Nirogacestat	DMUP5Z0	Desmoid tumour	2F7C	Approved	[5]
(S)-FLURBIPROFEN	DMF2O4T	Myalgia	FB56.2	Preregistration	[2]
AMG 386	DMQJXL4	Breast cancer	2C60-2C65	Phase 3	[6]
Semagacestat	DML83IW	Parkinson disease	8A00.0	Phase 3	[7]
R-flurbiprofen	DMFIVSR	N. A.	N. A.	Phase 2	[2]
MK-0752	DMLTAES	Alzheimer disease	8A20	Phase 2	[8]
BMS-708163	DM51LTG	Alzheimer disease	8A20	Phase 2	[9]
CHF-5074	DMTE071	Alzheimer disease	8A20	Phase 2	[10]
RO-4929097	DMXA6B3	Breast cancer	2C60-2C65	Phase 2	[11]
AL102	DMCTWIB	Desmoid tumour	2F7C	Phase 2	[12]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Gamma-secretase (GS)	TT9W8GU	APH1A_HUMAN; APH1B_HUMAN; PEN2_HUMAN; NICA_HUMAN; PSN1_HUMAN	Inhibitor	[1]
Presenilin 1 (PSEN1)	TTZ3S8C	PSN1_HUMAN	Inhibitor	[1]
Presenilin 2 (PSEN2)	TTWN3F4	PSN2_HUMAN	Inhibitor	[1]

References

• [1] Novel gamma-secretase inhibitors discovered by library screening of in-house synthetic natural product intermediates. Bioorg Med Chem Lett. 2006 Jul 15;16(14):3813-6.
• [2] 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.
• [3] Discovery of a Subnanomolar helical D-tridecapeptide inhibitor of gamma-secretase. J Med Chem. 2004 Jul 29;47(16):3931-3.
• [4] Aryl sulfones: a new class of gamma-secretase inhibitors. Bioorg Med Chem Lett. 2005 May 16;15(10):2685-8.
• [5] Pharmacodynamics and pharmacokinetics of the gamma-secretase inhibitor PF-3084014.J Pharmacol Exp Ther.2010 Jul;334(1):269-77.
• [6] Clinical pipeline report, company report or official report of Roche (2009).
• [7] A phase 3 trial of semagacestat for treatment of Alzheimer's disease. N Engl J Med. 2013 Jul 25;369(4):341-50.
• [8] Determination of the gamma-secretase inhibitor MK-0752 in human plasma by online extraction and electrospray tandem mass spectrometry (HTLC-ESI-MS/MS). J Chromatogr B Analyt Technol Biomed Life Sci. 2010 Sep 1;878(25):2348-52.
• [9] Safety and tolerability of the gamma-secretase inhibitor avagacestat in a phase 2 study of mild to moderate Alzheimer disease. Arch Neurol. 2012 Nov;69(11):1430-40.
• [10] CHF5074, a novel gamma-secretase modulator, attenuates brain beta-amyloid pathology and learning deficit in a mouse model of Alzheimer's disease.Br J Pharmacol.2009 Mar;156(6):982-93.
• [11] Phase I study of RO4929097, a gamma secretase inhibitor of Notch signaling, in patients with refractory metastatic or locally advanced solid tumors. J Clin Oncol. 2012 Jul 1;30(19):2348-53.
• [12] Clinical pipeline report, company report or official report of Ayala Pharmaceuticals.