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

General Information of Drug (ID: DMQHBSX)

Drug Name

NITD609 Drug Info

Synonyms

Cipargamin; 1193314-23-6; NITD-609; NITD 609; UNII-Z7Q4FWA04P; (1'R,3'S)-5,7'-Dichloro-6'-fluoro-3'-methyl-2',3',4',9'-tetrahydrospiro[indoline-3,1'-pyrido[3,4-b]indol]-2-one; Z7Q4FWA04P; CHEMBL1082723; Spiro[3H-indole-3,1'-[1H]pyrido[3,4-b]indol]-2(1H)-one, 5,7'-dichloro-6'-fluoro-2',3',4',9'-tetrahydro-3'-methyl-, (1'R,3'S)-; Cipargamin [INN]; 1252008-89-1; GTPL9721; SCHEMBL1306342; DTXSID70152424; MolPort-039-337-269; ZINC49037032; BDBM50318666; AKOS027253851; SB16518; DB12306; CS-7486; NCGC00263785-01

Indication

Disease Entry	ICD 11	Status	REF
Malaria	1F40-1F45	Phase 2	[1]

Cross-matching ID

PubChem CID: 44469321
CAS Number: CAS 1193314-23-6
TTD Drug ID: DMQHBSX

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Patented Agent(s)

Discontinued Drug(s)

Preclinical Drug(s)

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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	[3]
M100907	DM7ZFBA	Sleep-wake disorder	7A00-7B2Z	Phase 3	[4]
HP-184	DMNOMV2	Multiple sclerosis	8A40	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]
Isoindoline derivative 2	DMTE0S3	N. A.	N. A.	Patented	[9]
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Drug(s) Targeting Adenosine A3 receptor (ADORA3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
IB-MECA	DM9G5XD	Psoriasis vulgaris	EA90	Phase 3	[10]
Tonapofylline	DMBH316	Acute and chronic heart failure	BD1Z	Phase 2	[11]
CF102	DMP56WJ	Hepatocellular carcinoma	2C12.02	Phase 2	[12]
SCH-442416	DMQ2K1V	N. A.	N. A.	Phase 1	[13]
AST-004	DM5WMG7	Stroke	8B20	Phase 1	[14]
BEMESETRON	DMSPJX9	N. A.	N. A.	Discontinued in Phase 3	[15]
BAY 60-6583	DMTEJV1	Myocardial ischemia	BA6Z	Preclinical	[16]
CF602	DM0ULO2	Inflammation	1A00-CA43.1	Preclinical	[12]
CF502	DMQSJ20	Inflammation	1A00-CA43.1	Preclinical	[12]
METHYLTHIOADENOSINE	DMC8J6F	Multiple sclerosis	8A40	Terminated	[17]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adenosine A3 receptor (ADORA3)	TTJFY5U	AA3R_HUMAN	Inhibitor	[2]
Voltage-gated potassium channel Kv11.1 (KCNH2)	TTQ6VDM	KCNH2_HUMAN	Inhibitor	[2]

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References

1	ClinicalTrials.gov (NCT01836458) A Study to Find the Minimum Inhibitory Concentration of KAE609 in Adult Male Patients With P. Falciparum Monoinfection. U.S. National Institutes of Health.
2	Spiroindolones, a potent compound class for the treatment of malaria. Science. 2010 Sep 3;329(5996):1175-80.
3	Prediction of hERG potassium channel affinity by traditional and hologram qSAR methods. Bioorg Med Chem Lett. 2003 Aug 18;13(16):2773-5.
4	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.
5	Emerging drugs for spinal cord injury. Expert Opin Emerg Drugs. 2008 Mar;13(1):63-80.
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	A role for central A3-adenosine receptors. Mediation of behavioral depressant effects. FEBS Lett. 1993 Dec 20;336(1):57-60.
11	2-Amino-5-benzoyl-4-phenylthiazoles: Development of potent and selective adenosine A1 receptor antagonists. Bioorg Med Chem. 2010 Mar 15;18(6):2195-2203.
12	2011 Pipeline of Can-Fite BioPharm.
13	Synthesis and evaluation of 1,2,4-triazolo[1,5-c]pyrimidine derivatives as A2A receptor-selective antagonists. Bioorg Med Chem Lett. 2010 Oct 1;20(19):5690-4.
14	Adenosine A1R/A3R (Adenosine A1 and A3 Receptor) Agonist AST-004 Reduces Brain Infarction in a Nonhuman Primate Model of Stroke. Stroke. 2022 Jan;53(1):238-248.
15	2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacolog... J Med Chem. 2005 Nov 3;48(22):6887-96.
16	Protein kinase C protects preconditioned rabbit hearts by increasing sensitivity of adenosine A2b-dependent signaling during early reperfusion. J Mol Cell Cardiol. 2007 Sep;43(3):262-71.
17	Novel amino acid derived natural products from the ascidian Atriolum robustum: identification and pharmacological characterization of a unique aden... J Med Chem. 2004 Apr 22;47(9):2243-55.