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

General Information of Drug (ID: DMMYJ3R)

• Drug Name: 2-[4-(2-Piperidin-1-ylethyl)phenoxy]benzothiazole Drug Info
• Synonyms: Benzthiazole compound, 27b; SCHEMBL2168381; CHEMBL470753; BDBM24223

Indication

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

• Cross-matching ID:
  PubChem CID: 11427736
  TTD Drug ID: DMMYJ3R

Molecule-Related Drug Atlas

Drug(s) Targeting Leukotriene A-4 hydrolase (LTA4H)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Bestatin	DM8L9D4	Acute myeloid leukaemia	2A60	Approved	[2]
LYS006	DMI17QR	Ulcerative colitis	DD71	Phase 2	[3]
Acebilustat	DM19UTO	Chronic blistering skin disorder	ME63.3	Phase 1	[4]
DG051	DM3I0GS	Myocardial infarction	BA41-BA43	Discontinued in Phase 2	[5]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[6]
JNJ-10392980	DMZH0K8	Discovery agent	N.A.	Investigative	[1]
4-(2-amino-1,3-thiazol-4-yl)phenol	DMH5CAQ	Discovery agent	N.A.	Investigative	[7]
2-(4-phenoxyphenoxy)ethanamine	DM7TBUJ	Discovery agent	N.A.	Investigative	[8]
3-(Benzyloxy)Pyridin-2-Amine	DM35VEI	Discovery agent	N.A.	Investigative	[6]
2-(7-(benzyloxy)-1H-indol-3-yl)ethanamine	DMD2QVO	Discovery agent	N.A.	Investigative	[9]

Drug(s) Targeting Voltage-gated potassium channel Kv11.1 (KCNH2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
VESNARINONE	DMBKX3C	Cardiac failure	BD10-BD13	Approved	[10]
M100907	DM7ZFBA	Sleep-wake disorder	7A00-7B2Z	Phase 3	[11]
HP-184	DMNOMV2	Multiple sclerosis	8A40	Phase 2	[12]
NITD609	DMQHBSX	Malaria	1F40-1F45	Phase 2	[13]
ABT-229	DMN3S1B	Pain	MG30-MG3Z	Phase 2	[14]
ISOQUINE	DMR17YI	Malaria	1F40-1F45	Phase 1	[15]
Pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazine derivative 1	DMC8935	N. A.	N. A.	Patented	[16]
Isoindoline derivative 5	DMIUTQW	N. A.	N. A.	Patented	[17]
Isoindoline derivative 3	DM2MYL9	N. A.	N. A.	Patented	[17]
Isoindoline derivative 4	DMP1NKI	N. A.	N. A.	Patented	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Leukotriene A-4 hydrolase (LTA4H)	TTXZEAJ	LKHA4_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

References

• [1] Identification of a potent, selective, and orally active leukotriene a4 hydrolase inhibitor with anti-inflammatory activity. J Med Chem. 2008 Jul 24;51(14):4150-69.
• [2] DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Nucleic Acids Res. 2011 Jan;39(Database issue):D1035-41.
• [3] Discovery of LYS006, a Potent and Highly Selective Inhibitor of Leukotriene A(4) Hydrolase. J Med Chem. 2021 Feb 25;64(4):1889-1903.
• [4] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [5] BAY x 1005 attenuates atherosclerosis in apoE/LDLR - double knockout mice. J Physiol Pharmacol. 2007 Sep;58(3):583-8.
• [6] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [7] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [8] Activation and inhibition of leukotriene A4 hydrolase aminopeptidase activity by diphenyl ether and derivatives. Bioorg Med Chem Lett. 2008 Dec 15;18(24):6549-52.
• [9] Discovery of multitarget inhibitors by combining molecular docking with common pharmacophore matching. J Med Chem. 2008 Dec 25;51(24):7882-8.
• [10] Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods. Bioorg Med Chem Lett. 2003 Aug 18;13(16):2773-5.
• [11] Non-basic ligands for aminergic GPCRs: the discovery and development diaryl sulfones as selective, orally bioavailable 5-HT2A receptor antagonists ... Bioorg Med Chem Lett. 2010 Jun 15;20(12):3708-12.
• [12] Emerging drugs for spinal cord injury. Expert Opin Emerg Drugs. 2008 Mar;13(1):63-80.
• [13] Spiroindolones, a potent compound class for the treatment of malaria. Science. 2010 Sep 3;329(5996):1175-80.
• [14] 9-Dihydroerythromycin ethers as motilin agonists--developing structure-activity relationships for potency and safety. Bioorg Med Chem. 2010 Nov 1;18(21):7651-8.
• [15] Candidate selection and preclinical evaluation of N-tert-butyl isoquine (GSK369796), an affordable and effective 4-aminoquinoline antimalarial for ... J Med Chem. 2009 Mar 12;52(5):1408-15.
• [16] Towards selective phosphodiesterase 2A (PDE2A) inhibitors: a patent review (2010 - present).Expert Opin Ther Pat. 2016 Aug;26(8):933-46.
• [17] The sigma-2 (-2) receptor: a review of recent patent applications: 2013-2018.Expert Opin Ther Pat. 2018 Sep;28(9):655-663.