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

General Information of Drug (ID: DMY8GDA)

• Drug Name: Trimidox Drug Info
• Synonyms: 3,4,5-Trihydroxybenzamidoxime; CCRIS 7910; Benzenecarboximidamide, N,3,4,5-tetrahydroxy-; 95933-74-7; AC1NUZ8S; SCHEMBL4168968; CHEMBL1214553; CHEBI:94508; N,3,4,5-tetrahydroxybenzamidine; MolPort-044-561-997; N',3,4,5-Tetrahydroxybenzimidamide; 3,4,5-Trihydroxybenzamidoxamic acid; LS-29453; BRD-K11801786-003-01-7; T01312

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Preclinical	[1]

• Cross-matching ID:
  PubChem CID: 135409350
  ChEBI ID: CHEBI:94508
  CAS Number: CAS 95933-74-7
  TTD Drug ID: DMY8GDA

Molecule-Related Drug Atlas

Drug(s) Targeting Ribonucleotide reductase (RIR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Clofarabine	DMCVJ86	Acute lymphoblastic leukaemia	2A85	Approved	[5]
CPX-POM	DMK7DFM	Bladder cancer	2C94	Phase 2	[6]
G-207 virus construct	DM32AKH	Glioma	2A00.0	Phase 1/2	[7]
COH29	DMMEFO0	Solid tumour/cancer	2A00-2F9Z	Phase 1	[8]
Didox	DM64CAS	Solid tumour/cancer	2A00-2F9Z	Discontinued in Phase 2	[9]
Amidox	DM3D0WA	N. A.	N. A.	Terminated	[10]

Drug(s) Targeting Coagulation factor Xa (F10)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Apixaban	DM89JLN	Thrombosis	DB61-GB90	Approved	[11]
Rivaroxaban	DMQMBZ1	Deep vein thrombosis	BD71	Approved	[12]
DU-176b	DMCIJBH	Atrial fibrillation	BC81.3	Approved	[13]
Emicizumab	DM0AQ83	Factor VIII deficiency	3B10	Approved	[14]
BETRIXABAN	DM2C4RF	Venous thromboembolism	BD72	Approved	[15]
Lmw heparin	DMJPD06	Coagulation defect	3B10.0	Approved	[16]
Nadroparin calcium	DMBNKST	Coagulation defect	3B10.0	Approved	[17]
Fondaparinux sodium	DMWS3FH	Deep vein thrombosis	BD71	Approved	[18]
Danaparoid	DM6CLBN	Deep venous clot	BD71	Approved	[19]
Coagulation Factor IX	DM8HBJI	Haemophilia B	3B11.0	Approved	[20]

Drug(s) Affected By Catalase (CAT)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[21]
Cisplatin	DMRHGI9	Adenocarcinoma	2D40	Approved	[22]
Haloperidol	DM96SE0	Delirium		Approved	[23]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[24]
Selenium	DM25CGV	N. A.	N. A.	Approved	[25]
Methimazole	DM25FL8	Hyperthyroidism	5A02	Approved	[26]
Citalopram	DM2G9AE	Acute coronary syndrome	BA41	Approved	[27]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[28]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[29]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[30]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Coagulation factor Xa (F10)	TTCIHJA	FA10_HUMAN	Inhibitor	[2]
Ribonucleotide reductase (RIR)	TTX09M4	RIR1_HUMAN; RIR2_HUMAN; RIR2B_HUMAN	Inhibitor	[3]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Catalase (CAT)	OTHEBX9R	CATA_HUMAN	Gene/Protein Processing	[4]

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800004681)
• [2] Computer-aided design of a factor Xa inhibitor by using MCSS functionality maps and a CAVEAT linker search. J Mol Graph Model. 2003 Nov;22(2):105-14.
• [3] Suppression of retrovirus-induced immunodeficiency disease (murine AIDS) by trimidox and didox: novel ribonucleotide reductase inhibitors with less bone marrow toxicity than hydroxyurea. Antiviral Res. 2002 Nov;56(2):167-81.
• [4] Preventive effect of trimidox on oxidative stress in U937 cell line. Biol Pharm Bull. 2007 May;30(5):994-8.
• [5] Clofarabine: past, present, and future. Leuk Lymphoma. 2007 Oct;48(10):1922-30.
• [6] Preclinical Pharmacokinetics of Fosciclopirox, a Novel Treatment of Urothelial Cancers, in Rats and Dogs. J Pharmacol Exp Ther. 2019 Aug;370(2):148-159.
• [7] Anti-tumor effect of oncolytic herpes simplex virus G47delta on human nasopharyngeal carcinoma. Chin J Cancer. 2011 Dec;30(12):831-41.
• [8] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [9] Didox (a novel ribonucleotide reductase inhibitor) overcomes Bcl-2 mediated radiation resistance in prostate cancer cell line PC-3. Cancer Biol Ther. 2002 Sep-Oct;1(5):539-45.
• [10] Metabolism of the new ribonucleotide reductase inhibitor amidox in the isolated perfused rat liver. Anticancer Res. 2000 Sep- Oct;20(5B):3521-6.
• [11] Pfizer. Product Development Pipeline. March 31 2009.
• [12] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [13] 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: 2359).
• [14] 2017 FDA drug approvals.Nat Rev Drug Discov. 2018 Feb;17(2):81-85.
• [15] Company report (Portola)
• [16] Natural products as sources of new drugs over the last 25 years. J Nat Prod. 2007 Mar;70(3):461-77.
• [17] Serum zinc concentrations: contamination from laboratory equipment. JPEN J Parenter Enteral Nutr. 1979 May-Jun;3(3):179-81.
• [18] Biochemistry and clinical pharmacology of new anticoagulant agents. Pathophysiol Haemost Thromb. 2002 Sep-Dec;32(5-6):218-24.
• [19] Effect of factor X inhibition on coagulation activation and cytokine induction in human systemic inflammation. J Infect Dis. 2002 Nov 1;186(9):1270-6.
• [20] Haemophilia B: Christmas disease. Expert Opin Pharmacother. 2005 Aug;6(9):1517-24.
• [21] Gypenosides protect retinal pigment epithelium cells from oxidative stress. Food Chem Toxicol. 2018 Feb;112:76-85.
• [22] Role of antioxidant systems in human androgen-independent prostate cancer cells. Prostate. 2000 May 1;43(2):144-9. doi: 10.1002/(sici)1097-0045(20000501)43:2<144::aid-pros9>3.0.co;2-h.
• [23] 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.
• [24] Cytotoxic Effects of Cannabinoids on Human HT-29 Colorectal Adenocarcinoma Cells: Different Mechanisms of THC, CBD, and CB83. Int J Mol Sci. 2020 Aug 1;21(15):5533. doi: 10.3390/ijms21155533.
• [25] Selenium deficiency alters epithelial cell morphology and responses to influenza. Free Radic Biol Med. 2007 Jun 15;42(12):1826-37.
• [26] Hepatocellular peroxisomes in human alcoholic and drug-induced hepatitis: a quantitative study. Hepatology. 1991 Nov;14(5):811-7.
• [27] Antioxidant enzyme and malondialdehyde values in social phobia before and after citalopram treatment. Eur Arch Psychiatry Clin Neurosci. 2004 Aug;254(4):231-5.
• [28] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
• [29] The effect of statins on lipids peroxidation and activities of antioxidants enzymes in patients with dyslipidemia. Przegl Lek. 2006;63(9):738-42.
• [30] 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.