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

General Information of Drug (ID: DMFMWYC)

• Drug Name: Resatorvid Drug Info
• Synonyms: Resatorvid; TAK-242; 243984-11-4; UNII-H2MZ648C31; CHEMBL225157; H2MZ648C31; TAK242; Resatorvid [INN]; TAK-242 (Resatorvid); C15H17ClFNO4S; SCHEMBL872197; GTPL9036; MolPort-035-773-739; BDBM50155929; ZINC13982410; 4003AH; AKOS027250774; CS-0408; KB-80786; AN-16512; HY-11109; A3850; W-5468; P111021; ethyl (6R)-6-[(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate; ethyl (6r)-6-[n-(2-chloro-4-fluorophenyl)sulfamoyl]cyclohex-1-ene-1-carboxylate; ethyl (6R)-6-[(2-chloro-4-fluoro-phenyl)sulfamoyl]cyclohexene-1-carboxylate

Indication

Disease Entry	ICD 11	Status	REF
Sepsis	1G40-1G41	Phase 3	[1]

• Cross-matching ID:
  PubChem CID: 11703255
  CAS Number: CAS 243984-11-4
  TTD Drug ID: DMFMWYC

Molecule-Related Drug Atlas

Drug(s) Targeting Toll-like receptor 4 (TLR4)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
MPL-containing Pollinex allergy desensitization vaccine	DMXSDJU	Allergy	4A80-4A85	Preregistration	[5]
Cadi-05	DMPTCYB	Prostate cancer	2C82.0	Phase 3	[6]
ERITORAN	DMKQZ0L	Sepsis	1G40-1G41	Phase 3	[7]
G100	DMKHNXA	Non-hodgkin lymphoma	2B33.5	Phase 2	[8]
OM-174	DM2THBX	Solid tumour/cancer	2A00-2F9Z	Phase 1	[9]
NI-0101	DM31FOP	Autoimmune diabetes	5A10	Phase 1	[10]
GSK1795091	DMC6QE4	Solid tumour/cancer	2A00-2F9Z	Phase 1	[8]
CRX-675	DMHDSYF	Hepatitis virus infection	1E50-1E51	Phase 1	[10]
CS-4771	DMVDLT4	Sepsis	1G40-1G41	Discontinued in Phase 1	[11]
LZ-8	DM679IY	Autoimmune diabetes	5A10	Terminated	[10]

Drug(s) Affected By Interleukin-1 beta (IL1B)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[12]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[13]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[14]
Fexofenadine	DM17ONX	Allergic rhinitis	CA08.0	Approved	[15]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[16]
Lumiracoxib	DM1S4AG	Chronic renal failure	GB61.Z	Approved	[15]
Imiquimod	DM1TMA3	Alopecia areata	ED70.2	Approved	[17]
Selenium	DM25CGV	N. A.	N. A.	Approved	[18]
Ribavirin	DMEYLH9	Hepatitis C virus infection	1E51.1	Approved	[19]
Spironolactone	DM2AQ5N	Chronic heart failure	BD1Z	Approved	[20]

Drug(s) Affected By NF-kappa-B inhibitor alpha (NFKBIA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fructose	DM43AN2	Vomiting	MD90	Approved	[21]
Aprepitant	DM053KT	Depression	6A70-6A7Z	Approved	[22]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[12]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[13]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[23]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[24]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[25]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[26]
Deoxycholic acid	DM3GYAL	Subcutaneous fat disorder	EF02	Approved	[27]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[28]

Drug(s) Affected By Transcription factor p65 (RELA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[12]
Beta-carotene	DM0RXBT	Vitamin deficiency	5B55-5B71	Approved	[29]
Selenium	DM25CGV	N. A.	N. A.	Approved	[30]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[31]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[32]
Deoxycholic acid	DM3GYAL	Subcutaneous fat disorder	EF02	Approved	[27]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[28]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[33]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[34]
Glucosamine	DM4ZLFD	Osteoarthritis	FA00-FA05	Approved	[35]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Toll-like receptor 4 (TLR4)	TTISGCA	TLR4_HUMAN	Antagonist	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Interleukin-1 beta (IL1B)	OT0DWXXB	IL1B_HUMAN	Gene/Protein Processing	[3]
NF-kappa-B inhibitor alpha (NFKBIA)	OTFT924M	IKBA_HUMAN	Gene/Protein Processing	[4]
Transcription factor p65 (RELA)	OTUJP9CN	TF65_HUMAN	Post-Translational Modifications	[4]
Vascular endothelial growth factor A, long form	OTIM9MZ3	VEGFA_HUMAN	Gene/Protein Processing	[4]

References

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• [2] Clinical pipeline report, company report or official report of Takeda (2009).
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• [4] 7?Difluoromethyl?5,4'?dimethoxygenistein exerts anti?angiogenic effects on acute promyelocytic leukemia HL?60 cells by inhibiting the TLR4/NF?B signaling pathway. Mol Med Rep. 2020 May;21(5):2251-2259. doi: 10.3892/mmr.2020.11029. Epub 2020 Mar 18.
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• [8] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [9] Phase I study of OM-174, a lipid A analogue, with assessment of immunological response, in patients with refractory solid tumors. BMC Cancer. 2013 Apr 2;13:172.
• [10] URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 1754).
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• [19] Profiling the immunotoxicity of chemicals based on in vitro evaluation by a combination of the Multi-ImmunoTox assay and the IL-8 Luc assay. Arch Toxicol. 2018 Jun;92(6):2043-2054. doi: 10.1007/s00204-018-2199-7. Epub 2018 Mar 29.
• [20] Spironolactone induces apoptosis in human mononuclear cells. Association between apoptosis and cytokine suppression. Apoptosis. 2006 Apr;11(4):573-9. doi: 10.1007/s10495-006-4919-3.
• [21] ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.
• [22] Neurokinin-1 receptor (NK1R) inhibition sensitizes APL cells to anti-tumor effect of arsenic trioxide via restriction of NF-B axis: Shedding new light on resistance to Aprepitant. Int J Biochem Cell Biol. 2018 Oct;103:105-114. doi: 10.1016/j.biocel.2018.08.010. Epub 2018 Aug 23.
• [23] Neuroprotective effects of glucomoringin-isothiocyanate against H(2)O(2)-Induced cytotoxicity in neuroblastoma (SH-SY5Y) cells. Neurotoxicology. 2019 Dec;75:89-104. doi: 10.1016/j.neuro.2019.09.008. Epub 2019 Sep 12.
• [24] Microtubules are required for NF-kappaB nuclear translocation in neuroblastoma IMR-32 cells: modulation by zinc. J Neurochem. 2006 Oct;99(2):402-15. doi: 10.1111/j.1471-4159.2006.04005.x.
• [25] Protein phosphatase 2A interacts with and directly dephosphorylates RelA. J Biol Chem. 2001 Dec 21;276(51):47828-33. doi: 10.1074/jbc.M106103200. Epub 2001 Oct 8.
• [26] Activation of nuclear factor-kappa B pathway by simvastatin and RhoA silencing increases doxorubicin cytotoxicity in human colon cancer HT29 cells. Mol Pharmacol. 2008 Aug;74(2):476-84.
• [27] Prevention of deoxycholate-induced gastric apoptosis by aspirin: roles of NF-kappaB and PKC signaling. J Surg Res. 2008 Mar;145(1):66-73. doi: 10.1016/j.jss.2007.04.039. Epub 2007 Jul 20.
• [28] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [29] -Carotene Induces Apoptosis in Human Esophageal Squamous Cell Carcinoma Cell Lines via the Cav-1/AKT/NF-B Signaling Pathway. J Biochem Mol Toxicol. 2016 Mar;30(3):148-57. doi: 10.1002/jbt.21773. Epub 2016 Jan 6.
• [30] Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
• [31] Differential gene expression of sulindac-treated human breast epithelial cells. Int J Oncol. 2005 Dec;27(6):1727-36.
• [32] Suppression of RAGE as a basis of simvastatin-dependent plaque stabilization in type 2 diabetes. Arterioscler Thromb Vasc Biol. 2006 Dec;26(12):2716-23.
• [33] Peroxisome proliferator-activated receptor-gamma agonists inhibit respiratory syncytial virus-induced expression of intercellular adhesion molecule-1 in human lung epithelial cells. Immunology. 2007 May;121(1):71-81. doi: 10.1111/j.1365-2567.2006.02539.x.
• [34] Differential modulation of PI3-kinase/Akt pathway during all-trans retinoic acid- and Am80-induced HL-60 cell differentiation revealed by DNA microarray analysis. Biochem Pharmacol. 2004 Dec 1;68(11):2177-86.
• [35] Glucosamine regulation of LPS-mediated inflammation in human bronchial epithelial cells. Eur J Pharmacol. 2010 Jun 10;635(1-3):219-26. doi: 10.1016/j.ejphar.2010.02.044. Epub 2010 Mar 20.