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

General Information of Drug (ID: DMPQSE4)

• Drug Name: HCV-796 Drug Info
• Synonyms: Nesbuvir; Nesbuvir (USAN); 79Z

Indication

Disease Entry	ICD 11	Status	REF
Hepatitis C virus infection	1E51.1	Discontinued in Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 11561383
  CAS Number: CAS 691852-58-1
  TTD Drug ID: DMPQSE4

Molecule-Related Drug Atlas

Drug(s) Targeting Hepatitis C virus RNA-directed RNA polymerase (HCV NS5B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PSI-7977	DMLSUWZ	HCV 1-6 infection	1E51	Approved	[3]
Setrobuvir	DMTNDM2	Hepatitis C virus infection	1E51.1	Phase 2	[4]
BI 207127	DMMSGAT	Hepatitis C virus infection	1E51.1	Phase 2	[5]
Valopicitabine dihydrochloride	DMFWZ2U	Virus infection	1A24-1D9Z	Phase 2	[6]
INX-189	DMSTJ6Q	Hepatitis C virus infection	1E51.1	Phase 2	[7]
Tegobuvir	DM6YI5T	Hepatitis C virus infection	1E51.1	Phase 2	[8]
VX-759	DMJUSM8	Hepatitis C virus infection	1E51.1	Phase 2	[9]
VX-135	DMZ3FE8	Hepatitis C virus infection	1E51.1	Phase 2	[10]
VX-222	DMO3U4W	Hepatitis C virus infection	1E51.1	Phase 2	[9]
BMS 791325	DMKH4PI	Hepatitis C virus infection	1E51.1	Phase 2	[11]

Drug(s) Affected By Apoptotic protease-activating factor 1 (APAF1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[12]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[13]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[14]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[15]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[16]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[17]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[18]
Acocantherin	DM7JT24	Atrial fibrillation	BC81.3	Approved	[19]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[20]
Ivermectin	DMDBX5F	Intestinal strongyloidiasis due to nematode parasite	1F6B	Approved	[21]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Hepatitis C virus RNA-directed RNA polymerase (HCV NS5B)	TTMVBWH	POLG_HCV1	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Apoptotic protease-activating factor 1 (APAF1)	OTJWIVY0	APAF_HUMAN	Gene/Protein Processing	[2]

References

• [1] Emerging drugs for hepatitis C. Expert Opin Emerg Drugs. 2008 Mar;13(1):1-19.
• [2] Severe hepatocellular injury with apoptosis induced by a hepatitis C polymerase inhibitor. J Clin Gastroenterol. 2009 Apr;43(4):374-81. doi: 10.1097/MCG.0b013e318178d91f.
• [3] Radium 223 dichloride for prostate cancer treatment. Drug Des Devel Ther. 2017 Sep 6;11:2643-2651.
• [4] Clinical pipeline report, company report or official report of Anadys Pharmaceuticals (2011).
• [5] 2011 Pipeline of Boehringer Ingelheim Pharma.
• [6] Valopicitabine dihydrochloride:a specific polymerase inhibitor of hepatitis C virus. Curr Opin Investig Drugs. 2007 Feb;8(2):150-8.
• [7] Clinical pipeline report, company report or official report of Bristol-Myers Squibb.
• [8] Clinical pipeline report, company report or official report of Gilead (2011).
• [9] 2011 Pipeline of Vertex.
• [10] All-oral HCV therapies near approval. Nat Rev Drug Discov. 2013 Jun;12(6):409-11.
• [11] 2011 Pipeline of Bristol-Myers Squibb.
• [12] Cannabidiol Modulates the Immunophenotype and Inhibits the Activation of the Inflammasome in Human Gingival Mesenchymal Stem Cells. Front Physiol. 2016 Nov 24;7:559. doi: 10.3389/fphys.2016.00559. eCollection 2016.
• [13] Functional gene expression profile underlying methotrexate-induced senescence in human colon cancer cells. Tumour Biol. 2011 Oct;32(5):965-76.
• [14] Integrated assessment by multiple gene expression analysis of quercetin bioactivity on anticancer-related mechanisms in colon cancer cells in vitro. Eur J Nutr. 2005 Mar;44(3):143-56. doi: 10.1007/s00394-004-0503-1. Epub 2004 Apr 30.
• [15] Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
• [16] Comparison of Drug Metabolism and Its Related Hepatotoxic Effects in HepaRG, Cryopreserved Human Hepatocytes, and HepG2 Cell Cultures. Biol Pharm Bull. 2018 May 1;41(5):722-732. doi: 10.1248/bpb.b17-00913. Epub 2018 Feb 14.
• [17] Endoplasmic reticulum stress contributes to arsenic trioxide-induced intrinsic apoptosis in human umbilical and bone marrow mesenchymal stem cells. Environ Toxicol. 2016 Mar;31(3):314-28.
• [18] Lunasin, a novel seed peptide, sensitizes human breast cancer MDA-MB-231 cells to aspirin-arrested cell cycle and induced apoptosis. Chem Biol Interact. 2010 Jul 30;186(2):127-34. doi: 10.1016/j.cbi.2010.04.027. Epub 2010 May 21.
• [19] Ouabain induces apoptotic cell death in human prostate DU 145 cancer cells through DNA damage and TRAIL pathways. Environ Toxicol. 2019 Dec;34(12):1329-1339. doi: 10.1002/tox.22834. Epub 2019 Aug 21.
• [20] From transient transcriptome responses to disturbed neurodevelopment: role of histone acetylation and methylation as epigenetic switch between reversible and irreversible drug effects. Arch Toxicol. 2014 Jul;88(7):1451-68.
• [21] Quantitative proteomics reveals a broad-spectrum antiviral property of ivermectin, benefiting for COVID-19 treatment. J Cell Physiol. 2021 Apr;236(4):2959-2975. doi: 10.1002/jcp.30055. Epub 2020 Sep 22.