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

General Information of Drug (ID: DMQFUCD)

Drug Name

PMID26868298-compound-N3 Drug Info

Synonyms

PMID26868298-C-N3

Indication

Disease Entry	ICD 11	Status	REF
Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[1]
Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[1]
Coronavirus Disease 2019 (COVID-19)	1D6Y	Investigative	[2]

Therapeutic Class

Antiviral Agents

Cross-matching ID

TTD Drug ID: DMQFUCD

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Discontinued Drug(s)

Preclinical Drug(s)

Investigative Drug(s)

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Drug(s) Targeting COVID-19 papain-like proteinase (PL-PRO)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Disulfiram	DMCL2OK	Alcohol dependence	6C40.2	Approved	[2]
Isotretinoin	DM4QTBN	Acne vulgaris	ED80	Approved	[3]
SPI-1005	DM6XFHS	Reperfusion injury	ND56.Z	Approved	[2]
PX-12	DMLVHAJ	Pancreatic cancer	2C10	Phase 2	[2]
Tideglusib	DME4LA1	Alzheimer disease	8A20	Phase 2	[2]
Hexylcarbamoyl fluorouracil	DMYNPK8	Solid tumour/cancer	2A00-2F9Z	Withdrawn from market	[2]
GRL0617	DMX9AGF	Coronavirus infection	1D92	Preclinical	[4]
Isoarnebin 4	DM0B7NO	Coronavirus Disease 2019 (COVID-19)	1D6Y	Investigative	[2]
PMID32321856-compound-11a	DMN39V6	Coronavirus Disease 2019 (COVID-19)	1D6Y	Investigative	[5]
PMID32321856-compound-11b	DM31QEY	Coronavirus Disease 2019 (COVID-19)	1D6Y	Investigative	[5]
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Drug(s) Targeting MERS-CoV 3C-like proteinase (3CLpro)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lopinavir	DMITQS0	Human immunodeficiency virus infection	1C62	Approved	[1]
GC376	DMR1CLY	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[6]
PMID28216367-compound-6d	DMPWUFT	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[7]
PMID27240464-compound-3f	DMPC29W	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[8]
GRL-001	DMVB1PD	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[1]
GC813	DM7PBJC	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[9]
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Drug(s) Targeting SARS-CoV 3C-like protease (3CLpro)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Lopinavir	DMITQS0	Human immunodeficiency virus infection	1C62	Approved	[1]
GC376	DMR1CLY	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[6]
PMID28216367-compound-6d	DMPWUFT	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[7]
PMID27240464-compound-3f	DMPC29W	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[8]
GRL-001	DMVB1PD	Middle East Respiratory Syndrome (MERS)	1D64	Preclinical	[1]
Phenylisoserine derivatives SK80	DM16W8F	Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[10]
PMID30784880-compound-6-5	DMVB0P3	Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[11]
PMID28624700-compound-3-31	DMYNCWK	Severe acute respiratory syndrome (SARS)	1D65	Preclinical	[12]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
COVID-19 papain-like proteinase (PL-PRO)	TTNHMO8	R1AB_SARS2 (819-2763)	Inhibitor	[2]
MERS-CoV 3C-like proteinase (3CLpro)	TTWOH4Q	R1AB_CVEMC (3248-3553)	Inhibitor	[1]
SARS-CoV 3C-like protease (3CLpro)	TTPZG3C	R1AB_CVHSA (3241-3546)	Inhibitor	[1]

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References

1	Coronaviruses - drug discovery and therapeutic options. Nat Rev Drug Discov. 2016 May;15(5):327-47.
2	Structure of Mpro from COVID-19 virus and discovery of its inhibitors. Nature. 2020 Apr 9.
3	ClinicalTrials.gov (NCT04361422) Isotretinoin in Treatment of COVID-19. U.S. National Institutes of Health.
4	Crystal structure of SARS-CoV-2 papain-like protease. Acta Pharm Sin B. 2021 Jan;11(1):237-245.
5	Structure-based Design of Antiviral Drug Candidates Targeting the SARS-CoV-2 Main Protease. Science. 2020 Apr 22;eabb4489.
6	Reversal of the Progression of Fatal Coronavirus Infection in Cats by a Broad-Spectrum Coronavirus Protease Inhibitor. PLoS Pathog. 2016 Mar 30;12(3):e1005531.
7	Identification and evaluation of potent Middle East respiratory syndrome coronavirus (MERS-CoV) 3CLPro inhibitors. Antiviral Res. 2017 May;141:101-106.
8	Identification, synthesis and evaluation of SARS-CoV and MERS-CoV 3C-like protease inhibitors. Bioorg Med Chem. 2016 Jul 1;24(13):3035-3042.
9	Structure-guided Design of Potent and Permeable Inhibitors of MERS Coronavirus 3CL Protease That Utilize a Piperidine Moiety as a Novel Design Element Eur J Med Chem. 2018 Apr 25;150:334-346.
10	Synthesis and Evaluation of Phenylisoserine Derivatives for the SARS-CoV 3CL Protease Inhibitor. Bioorg Med Chem Lett. 2017 Jun 15;27(12):2746-2751.
11	Chemical synthesis, crystal structure, versatile evaluation of their biological activities and molecular simulations of novel pyrithiobac derivatives. Eur J Med Chem. 2019 Apr 1;167:472-484.
12	Discovery of Unsymmetrical Aromatic Disulfides as Novel Inhibitors of SARS-CoV Main Protease: Chemical Synthesis, Biological Evaluation, Molecular Docking and 3D-QSAR Study Eur J Med Chem. 2017 Sep 8;137:450-461.