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

General Information of Drug (ID: DMTE0S3)

• Drug Name: Isoindoline derivative 2 Drug Info
• Synonyms: PMID30185082-Compound-67
• Cross-matching ID:
  PubChem CID: 118282969
  TTD Drug ID: DMTE0S3

Molecule-Related Drug Atlas

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	[2]
M100907	DM7ZFBA	Sleep-wake disorder	7A00-7B2Z	Phase 3	[3]
HP-184	DMNOMV2	Multiple sclerosis	8A40	Phase 2	[4]
NITD609	DMQHBSX	Malaria	1F40-1F45	Phase 2	[5]
ABT-229	DMN3S1B	Pain	MG30-MG3Z	Phase 2	[6]
ISOQUINE	DMR17YI	Malaria	1F40-1F45	Phase 1	[7]
Pyrido[3,2-e][1,2,4]triazolo[4,3-a]pyrazine derivative 1	DMC8935	N. A.	N. A.	Patented	[8]
Isoindoline derivative 5	DMIUTQW	N. A.	N. A.	Patented	[1]
Isoindoline derivative 3	DM2MYL9	N. A.	N. A.	Patented	[1]
Isoindoline derivative 4	DMP1NKI	N. A.	N. A.	Patented	[1]

Drug(s) Targeting Sigma intracellular receptor 2 (TMEM97)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
MIN-101	DMCJY35	Schizophrenia	6A20	Phase 3	[9]
CT1812	DMBRKZ7	Alzheimer disease	8A20	Phase 2	[10]
Isoindoline derivative 5	DMIUTQW	N. A.	N. A.	Patented	[1]
Isoindoline derivative 3	DM2MYL9	N. A.	N. A.	Patented	[1]
Isoindoline derivative 4	DMP1NKI	N. A.	N. A.	Patented	[1]
Isoindoline derivative 1	DMD19QC	N. A.	N. A.	Patented	[1]
Benzamide derivative 9	DMVFSJZ	N. A.	N. A.	Patented	[1]
Benzamide derivative 10	DM9PKU2	N. A.	N. A.	Patented	[1]
PMID30185082-Compound-57	DMNDF1Z	N. A.	N. A.	Patented	[1]
PMID28051882-Compound-XIV	DM1RN89	N. A.	N. A.	Patented	[11]

Drug(s) Targeting Opioid receptor sigma 1 (OPRS1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dextromethorphan	DMUDJZM	Allergic rhinitis	CA08.0	Approved	[12]
Dextromethorphan Polistirex	DMEHCY5	Dry cough	MD12	Approved	[13]
CM-2395	DMASPWR	Schizophrenia	6A20	Phase 3	[14]
AVP-786	DMV1SOR	Alzheimer disease	8A20	Phase 3	[15]
ADX N05	DMLBYRA	Mood disorder	6A60-6E23	Phase 3	[16]
Igmesine	DMH97XA	Major depressive disorder	6A70.3	Phase 2	[17]
OPC-14523	DMB1WF3	Bulimia nervosa	6B81	Phase 2	[18]
ANAVEX 2-73	DM67OU4	Alzheimer disease	8A20	Phase 1	[19]
SSR-125047	DMSUFW6	Schizophrenia	6A20	Phase 1	[20]
SA-5845	DM6XZRL	Central nervous system disease	8A04-8D87	Phase 1	[21]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor sigma 1 (OPRS1)	TT5TPI6	SGMR1_HUMAN	Ligand	[1]
Sigma intracellular receptor 2 (TMEM97)	TT9NXW4	SGMR2_HUMAN	Ligand	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Ligand	[1]

References

• [1] The sigma-2 (-2) receptor: a review of recent patent applications: 2013-2018.Expert Opin Ther Pat. 2018 Sep;28(9):655-663.
• [2] Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods. Bioorg Med Chem Lett. 2003 Aug 18;13(16):2773-5.
• [3] 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.
• [4] Emerging drugs for spinal cord injury. Expert Opin Emerg Drugs. 2008 Mar;13(1):63-80.
• [5] Spiroindolones, a potent compound class for the treatment of malaria. Science. 2010 Sep 3;329(5996):1175-80.
• [6] 9-Dihydroerythromycin ethers as motilin agonists--developing structure-activity relationships for potency and safety. Bioorg Med Chem. 2010 Nov 1;18(21):7651-8.
• [7] 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.
• [8] Towards selective phosphodiesterase 2A (PDE2A) inhibitors: a patent review (2010 - present).Expert Opin Ther Pat. 2016 Aug;26(8):933-46.
• [9] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [10] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [11] Are sigma modulators an effective opportunity for cancer treatment A patent overview (1996-2016).Expert Opin Ther Pat. 2017 May;27(5):565-578.
• [12] Dextromethorphan/quinidine: AVP 923, dextromethorphan/cytochrome P450-2D6 inhibitor, quinidine/dextromethorphan. Drugs R D. 2005;6(3):174-7.
• [13] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [14] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800031127)
• [15] Antitussives and substance abuse. Subst Abuse Rehabil. 2013 Nov 6;4:75-82.
• [16] Clinical pipeline report, company report or official report of SK BioPhamaceuticals.
• [17] Antiamnesic and neuroprotective effects of donepezil against learning impairments induced in mice by exposure to carbon monoxide gas. J Pharmacol Exp Ther. 2006 Jun;317(3):1307-19.
• [18] Antidepressant-like responses to the combined sigma and 5-HT1A receptor agonist OPC-14523. Neuropharmacology. 2001 Dec;41(8):976-88.
• [19] 2011 Pipeline of Anavex.
• [20] The pipeline and future of drug development in schizophrenia. Mol Psychiatry. 2007 Oct;12(10):904-22.
• [21] Tumor imaging with 2 sigma-receptor ligands, 18F-FE-SA5845 and 11C-SA4503: a feasibility study. J Nucl Med. 2004 Nov;45(11):1939-45.