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

General Information of Drug (ID: DMGUZ0W)

• Drug Name: MELARSOPROL Drug Info
• Synonyms: MELARSOPROL; Mel B; Arsobal; 494-79-1; Melarsoprolum [INN-Latin]; EINECS 207-793-4; Melarsoprol [INN:BAN:DCF]; RP 3854; CHEBI:6729; [2-[4-[(4,6-diamino-1,3,5-triazin-2-yl)amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol; 1,3,2-Dithiarsolane-4-methanol, 2-(4-((4,6-diamino-1,3,5-triazin-2-yl)amino)phenyl)-; Melarsoprolum; Melarsenoxid-BAL; 2-(p-(4,6-Diamino-s-triazin-2-ylamino)phenyl)-1,3,2-dithiarsolane-4-methanol; C12H15AsN6OS2; Specia; UNII-ZF3786Q2E8; Melarsoprol (INN); AC1L1UXN; Mel B (TN); CHEMBL166; SCHEMBL61707; ZF3786Q2E8

Indication

Disease Entry	ICD 11	Status	REF
Trypanosomiasis	1D51-1F53	Approved	[1]

• Cross-matching ID:
  PubChem CID: 10311
  ChEBI ID: CHEMBL6729
  CAS Number: CAS 494-79-1
  TTD Drug ID: DMGUZ0W

Molecule-Related Drug Atlas

Drug(s) Targeting Cysteine protease (CYP)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
K-777	DMIFCMW	Discovery agent	N.A.	Investigative	[5]
N-methyl-Pip-F-homoF-vinyl sulfonyl phenyl (N-methyl-Pip-F-hF-VS phi)	DMDAN0K	Discovery agent	N.A.	Investigative	[6]
S-hexyl hexane-1-sulfinothioate	DMODS9A	Discovery agent	N.A.	Investigative	[7]
S-benzyl phenylmethanesulfinothioate	DMDUC2X	Discovery agent	N.A.	Investigative	[7]
S-isopentyl 3-methylbutane-1-sulfinothioate	DM1NXFL	Discovery agent	N.A.	Investigative	[7]
S-propyl propane-1-sulfinothioate	DMFTLY9	Discovery agent	N.A.	Investigative	[7]
ALLICIN	DMSOJ6H	Discovery agent	N.A.	Investigative	[7]

Drug(s) Affected By Cytochrome P450 2C19 (CYP2C19)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[8]
Thioridazine	DM35M8J	Schizophrenia	6A20	Approved	[9]
Voriconazole	DMAOL2S	Aspergillosis	1F20	Approved	[10]
Chloramphenicol	DMFXEWT	Bacterial infection	1A00-1C4Z	Approved	[11]
Capsaicin	DMGMF6V	Back pain	ME84.Z	Approved	[12]
Pentamidine	DMHZJCG	African trypanosomiasis	1F51	Approved	[3]
Stiripentol	DMMSDOY	Dravet syndrome	8A61.11	Approved	[13]
Quinine	DMSWYF5	Malaria	1F40-1F45	Approved	[3]
Desipramine	DMT2FDC	Attention deficit hyperactivity disorder	6A05.Z	Approved	[9]
Amitriptyline	DMK7F9S	Depression	6A70-6A7Z	Approved	[14]

Drug(s) Affected By Poly polymerase 1 (PARP1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[15]
Gefitinib	DM15F0X	Colon adenocarcinoma		Approved	[16]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[17]
Nitric Oxide	DM1RBYG	Hypertension	BA00-BA04	Approved	[18]
Citalopram	DM2G9AE	Acute coronary syndrome	BA41	Approved	[19]
Ciprofloxacin XR	DM2NLS9	Acute gonococcal cervicitis		Approved	[20]
Imipramine	DM2NUH3	Depression	6A70-6A7Z	Approved	[19]
Colchicine	DM2POTE	Acute gout flare	FA25.0	Approved	[21]
Sulindac	DM2QHZU	Acute myelogenous leukaemia	2A41	Approved	[22]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[23]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cysteine protease (CYP)	TT2SUAQ	NOUNIPROTAC	Inhibitor	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 2C19 (CYP2C19)	OTFMJYYE	CP2CJ_HUMAN	Gene/Protein Processing	[3]
Poly polymerase 1 (PARP1)	OT310QSG	PARP1_HUMAN	Protein Interaction/Cellular Processes	[4]

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] On-bead screening of a combinatorial fumaric acid derived peptide library yields antiplasmodial cysteine protease inhibitors with unusual peptide s... J Med Chem. 2009 Sep 24;52(18):5662-72.
• [3] Application of higher throughput screening (HTS) inhibition assays to evaluate the interaction of antiparasitic drugs with cytochrome P450s. Drug Metab Dispos. 2001 Jan;29(1):30-5.
• [4] RIP kinase is involved in arsenic-induced apoptosis in multiple myeloma cells. Apoptosis. 2004 Sep;9(5):561-71. doi: 10.1023/B:APPT.0000038030.47068.49.
• [5] Novel non-peptidic vinylsulfones targeting the S2 and S3 subsites of parasite cysteine proteases. Bioorg Med Chem Lett. 2009 Nov 1;19(21):6218-21.
• [6] A cysteine protease inhibitor cures Chagas' disease in an immunodeficient-mouse model of infection. Antimicrob Agents Chemother. 2007 Nov;51(11):3932-9.
• [7] Allicin and derivates are cysteine protease inhibitors with antiparasitic activity. Bioorg Med Chem Lett. 2010 Sep 15;20(18):5541-3.
• [8] Characterization of the structural determinants required for potent mechanism-based inhibition of human cytochrome P450 1A1 by cannabidiol. Chem Biol Interact. 2014 May 25;215:62-8.
• [9] Inhibition of cytochrome P450 enzymes participating in p-nitrophenol hydroxylation by drugs known as CYP2E1 inhibitors. Chem Biol Interact. 2004 Apr 15;147(3):331-40.
• [10] The novel azole R126638 is a selective inhibitor of ergosterol synthesis in Candida albicans, Trichophyton spp., and Microsporum canis. Antimicrob Agents Chemother. 2004 Sep;48(9):3272-8.
• [11] Cytochrome P450 inhibition potential of new psychoactive substances of the tryptamine class. Toxicol Lett. 2016 Jan 22;241:82-94.
• [12] Effects of capsaicin and dihydrocapsaicin on human and rat liver microsomal CYP450 enzyme activities in vitro and in vivo. J Asian Nat Prod Res. 2012;14(4):382-95.
• [13] Stiripentol. Expert Opin Investig Drugs. 2005 Jul;14(7):905-11.
• [14] 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.
• [15] Cannabidiol enhances cytotoxicity of anti-cancer drugs in human head and neck squamous cell carcinoma. Sci Rep. 2020 Nov 26;10(1):20622. doi: 10.1038/s41598-020-77674-y.
• [16] Evidence of securin-mediated resistance to gefitinib-induced apoptosis in human cancer cells. Chem Biol Interact. 2013 Apr 25;203(2):412-22. doi: 10.1016/j.cbi.2013.03.011. Epub 2013 Mar 22.
• [17] Cigarette smoke and asbestos activate poly-ADP-ribose polymerase in alveolar epithelial cells. J Investig Med. 2001 Jan;49(1):68-76. doi: 10.2310/6650.2001.34092.
• [18] Apoptotic signaling pathways induced by nitric oxide in human lymphoblastoid cells expressing wild-type or mutant p53. Cancer Res. 2004 May 1;64(9):3022-9. doi: 10.1158/0008-5472.can-03-1880.
• [19] The antidepressants imipramine, clomipramine, and citalopram induce apoptosis in human acute myeloid leukemia HL-60 cells via caspase-3 activation. J Biochem Mol Toxicol. 1999;13(6):338-47. doi: 10.1002/(sici)1099-0461(1999)13:6<338::aid-jbt8>3.0.co;2-7.
• [20] Ciprofloxacin mediated cell growth inhibition, S/G2-M cell cycle arrest, and apoptosis in a human transitional cell carcinoma of the bladder cell line. Clin Cancer Res. 2000 Mar;6(3):891-900.
• [21] Investigation of molecular mechanisms underlying the antiproliferative effects of colchicine against PC3 prostate cancer cells. Toxicol In Vitro. 2021 Jun;73:105138. doi: 10.1016/j.tiv.2021.105138. Epub 2021 Mar 6.
• [22] Sulindac enhances adenoviral vector expressing mda-7/IL-24-mediated apoptosis in human lung cancer. Mol Cancer Ther. 2005 Feb;4(2):291-304.
• [23] Methotrexate induces poly(ADP-ribose) polymerase-dependent, caspase 3-independent apoptosis in subsets of proliferating CD4+ T cells. Clin Exp Immunol. 2007 May;148(2):288-95. doi: 10.1111/j.1365-2249.2007.03335.x. Epub 2007 Feb 7.