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

General Information of Drug (ID: DMTJI4F)

• Drug Name: (E)-2-(4-fluorostyryl)-5-(phenylsulfinyl)pyridine Drug Info
• Synonyms: CHEMBL240886; (E)-2-(4-fluorostyryl)-5-(phenylsulfinyl)pyridine

Indication

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

• Cross-matching ID:
  PubChem CID: 44439386
  TTD Drug ID: DMTJI4F

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	[9]
Isoindoline derivative 3	DM2MYL9	N. A.	N. A.	Patented	[9]
Isoindoline derivative 4	DMP1NKI	N. A.	N. A.	Patented	[9]

Drug(s) Targeting 5-HT 2A receptor (HTR2A)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Metergolin	DMJFP6G	Hyperprolactinaemia	5A60.1	Approved	[10]
ZOTEPINE	DMF3VXA	Anxiety disorder	6B00-6B0Z	Approved	[11]
Iloperidone	DM6AUFY	Schizophrenia	6A20	Approved	[12]
Flibanserin	DM70DTN	Depression	6A70-6A7Z	Approved	[13]
Lurasidone hydrochloride	DMCVPXO	Schizophrenia	6A20	Approved	[14]
Aniracetam	DMOIFW0	Cerebrovascular ischaemia	8B1Z	Approved	[15]
lumateperone tosylate	DMQ8HOJ	Schizophrenia	6A20	Approved	[16]
Sarpogrelate	DMGLP6S	Diabetic complication	5A2Y	Approved	[17]
Pimavanserin	DMR7IVC	Parkinson disease	8A00.0	Approved	[18]
Zicronapine	DMP8ESD	Schizophrenia	6A20	Phase 3	[19]

Drug(s) Targeting 5-HT 2C receptor (HTR2C)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Metergolin	DMJFP6G	Hyperprolactinaemia	5A60.1	Approved	[10]
Lorcaserin	DMG6OYJ	Obesity	5B81	Approved	[20]
Tramadol	DMRQD04	Osteoarthritis	FA00-FA05	Approved	[21]
Mirtazapine	DML53ZJ	Depression	6A70-6A7Z	Approved	[22]
Nefazodone	DM4ZS8M	Major depressive disorder	6A70.3	Approved	[23]
Methysergide	DM1EF73	Migraine	8A80	Approved	[24]
Eltoprazine	DMW6C81	Attention deficit hyperactivity disorder	6A05.Z	Phase 3	[25]
M100907	DM7ZFBA	Sleep-wake disorder	7A00-7B2Z	Phase 3	[3]
SR46349B	DM1ODMR	Primary insomnia	7A00	Phase 3	[26]
Vabicaserin	DM9GZW6	Psychotic disorder	6A20-6A25	Phase 2	[27]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Inhibitor	[1]
5-HT 2C receptor (HTR2C)	TTWJBZ5	5HT2C_HUMAN	Inhibitor	[1]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[1]

References

• [1] 2,5-Disubstituted pyridines: the discovery of a novel series of 5-HT2A ligands. Bioorg Med Chem Lett. 2007 May 1;17(9):2643-8.
• [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] The sigma-2 (-2) receptor: a review of recent patent applications: 2013-2018.Expert Opin Ther Pat. 2018 Sep;28(9):655-663.
• [10] Pharmacological characterisation of the agonist radioligand binding site of 5-HT(2A), 5-HT(2B) and 5-HT(2C) receptors. Naunyn Schmiedebergs Arch Pharmacol. 2004 Aug;370(2):114-23.
• [11] Current and novel approaches to the drug treatment of schizophrenia. J Med Chem. 2001 Feb 15;44(4):477-501.
• [12] Hughes B: 2009 FDA drug approvals. Nat Rev Drug Discov. 2010 Feb;9(2):89-92.
• [13] Radium 223 dichloride for prostate cancer treatment. Drug Des Devel Ther. 2017 Sep 6;11:2643-2651.
• [14] Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5.
• [15] Anxiolytic effects of aniracetam in three different mouse models of anxiety and the underlying mechanism. Eur J Pharmacol. 2001 May 18;420(1):33-43.
• [16] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2019
• [17] Beneficial effects of sarpogrelate hydrochloride, a 5-HT2A receptor antagonist, supplemented with pioglitazone on diabetic model mice. Endocr Res. 2009;34(1-2):18-30.
• [18] Pimavanserin, a selective serotonin (5-HT)2A-inverse agonist, enhances the efficacy and safety of risperidone, 2mg/day, but does not enhance efficacy of haloperidol, 2mg/day: comparison with reference dose risperidone, 6mg/day.Schizophr Res.2012 Nov;141(2-3):144-52.
• [19] Clinical pipeline report, company report or official report of Lundbeck.
• [20] Anti-obesity drugs. Expert Opin Pharmacother. 2008 Jun;9(8):1339-50.
• [21] The inhibitory effects of tramadol on 5-hydroxytryptamine type 2C receptors expressed in Xenopus oocytes. Anesth Analg. 2004 May;98(5):1401-6, table of contents.
• [22] Inverse agonist and neutral antagonist actions of antidepressants at recombinant and native 5-hydroxytryptamine2C receptors: differential modulatio... Mol Pharmacol. 2008 Mar;73(3):748-57.
• [23] Serotonin 5-HT2C receptors as a target for the treatment of depressive and anxious states: focus on novel therapeutic strategies. Therapie. 2005 Sep-Oct;60(5):441-60.
• [24] Spinal serotonin receptor activation modulates the exercise ventilatory response with increased dead space in goats. Respir Physiol Neurobiol. 2008 May 31;161(3):230-8.
• [25] Clinical pipeline report, company report or official report of Jazz Pharmaceuticals.
• [26] SR46349-B, a 5-HT(2A/2C) receptor antagonist, potentiates haloperidol-induced dopamine release in rat medial prefrontal cortex and nucleus accumbens. Neuropsychopharmacology. 2002 Sep;27(3):430-41.
• [27] Prediction of Efficacy of Vabicaserin, a 5-HT2C Agonist, for the Treatment of Schizophrenia Using a Quantitative Systems Pharmacology Model.CPT Pharmacometrics Syst Pharmacol.2014 Apr 23;3:e111.