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

General Information of Drug (ID: DMK4XLD)

• Drug Name: Cacodylate Ion Drug Info
• Synonyms: Dimethylarsinate; Arsinic acid, dimethyl-, ion(1-); Bolate; Bolls; 15132-04-4; Dimethylarsonic Acid; rad-e-cat 25; Cacodylate ions; Cacodylic acid, free acid; Kakodylat; DMAV; Dimethylarsinic acidanion; AC1L4ZLM; CAC; Me2AsO2(-); AC1Q1WC3; CHEBI:16223; CTK4C7002; BDBM92451; DTXSID60164758; OGGXGZAMXPVRFZ-UHFFFAOYSA-M; Scotts Stop Weeds After They Start; Scotts Spot Grass and Weed Control; [As(CH3)2O2](-); AKOS032954710; Arsinic acid,dimethyl-, ion(1-) (9CI)

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 167250
  ChEBI ID: CHEBI:16223
  CAS Number: CAS 15132-04-4
  TTD Drug ID: DMK4XLD

Molecule-Related Drug Atlas

Drug(s) Targeting Nitric-oxide synthase endothelial (NOS3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tilarginine acetate	DMZBGI8	Myocardial infarction	BA41-BA43	Phase 3	[2]
L-NAME	DM01SR6	Hypertension	BA00-BA04	Phase 2	[3]
ACCLAIM	DM0FGDO	Angina pectoris	BA40	Phase 2	[4]
VAS-203	DMKU93J	Brain injury	NA07.Z	Phase 2	[5]
MTR105	DMT0K4F	Hypotension	BA20-BA21	Phase 2	[6]
Autologous cell based gene therapy	DMQA1VT	Pulmonary hypertension	BB01	Phase 1	[7]
L-NIL	DM6Y49D	N. A.	N. A.	Terminated	[8]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[1]
2-Methyl-2,4-Pentanediol	DMD45CU	Discovery agent	N.A.	Investigative	[1]
Heme	DMGC287	Discovery agent	N.A.	Investigative	[9]

Drug(s) Targeting Calmodulin (CALM)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Halofantrine	DMOMK1V	Malaria	1F40-1F45	Approved	[10]
Trifluoperazine	DMKBYWI	Anxiety		Approved	[11]
Aprindine	DMBXWU8	Cardiac arrhythmias	BC9Z	Approved	[12]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[1]
2-Methyl-2,4-Pentanediol	DMD45CU	Discovery agent	N.A.	Investigative	[1]
MYRISTIC ACID	DMYX0BL	Discovery agent	N.A.	Investigative	[9]
2-Methyl-2-Propanol	DMHM5GJ	Discovery agent	N.A.	Investigative	[1]
N-Trimethyllysine	DMZQXLS	Discovery agent	N.A.	Investigative	[1]
Calmidazolium	DM5ZTJL	Huntington disease	8A01.10	Investigative	[13]

Drug(s) Targeting Bacterial Aspartate-semialdehyde dehydrogenase (Bact asd2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
2'-Monophosphoadenosine 5'-Diphosphoribose	DME9S8M	Discovery agent	N.A.	Investigative	[1]
S-sulpho-L-cysteine	DMDIYWV	Discovery agent	N.A.	Investigative	[14]
Aspartate Semialdehyde	DMGB90V	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Thioredoxin (TXN)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
PX-12	DMLVHAJ	Pancreatic cancer	2C10	Phase 2	[15]
Acetate Ion	DMD08RH	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Pseudomonas UDP-3-O-acyl-GlcNAc deacetylase (Pseudo lpxC)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
LpxC-1	DMV1A25	Acinetobacter baumannii infection	CA40.0Y	Preclinical	[16]
RC-01	DM4FNWO	Gram-negative bacterial infection	1B74-1G40	Terminated	[17]
MYRISTIC ACID	DMYX0BL	Discovery agent	N.A.	Investigative	[9]
Palmitoleic Acid	DM4W5X8	Discovery agent	N.A.	Investigative	[1]
3-(heptyloxy)benzoic acid	DMQZU9G	Discovery agent	N.A.	Investigative	[9]
BB-78484	DMFBN9O	Discovery agent	N.A.	Investigative	[18]
BB-78485	DMJKA3F	Discovery agent	N.A.	Investigative	[18]
Tu-514	DMUR0TF	Discovery agent	N.A.	Investigative	[1]

Drug(s) Targeting Thyroid hormone receptor beta (THRB)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dextrothyroxine Sodium	DMBVEC7	High blood cholesterol level	5C80.00	Approved	[10]
BCT303	DMUFY4K	Hypothyroidism	5A00	Phase 2	[19]
MB-07811	DM6JTSZ	Hyperlipidaemia	5C80	Phase 2	[20]
MGL-3196	DM1HC9R	Familial hypercholesterolemia	5C80.00	Phase 2	[21]
VK-2809	DMY5NUR	Hypercholesterolaemia	5C80.0	Phase 2	[22]
ZYT-1	DM1XOZK	Lipid metabolism disorder	5C52.Z	Phase 1	[19]
Axitirome	DM6L5IP	Hyperlipidaemia	5C80	Phase 1	[23]
VK-0214	DM90GS3	X-linked Adrenoleukodystrophy	5C57	Phase 1	[24]
tiratricol	DMZO6CV	Wound healing	EL8Y	Clinical trial	[25]
3-(dibutylamino)-1-(4-hexylphenyl)propan-1-one	DM2JBQI	Discovery agent	N.A.	Investigative	[26]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bacterial Aspartate-semialdehyde dehydrogenase (Bact asd2)	TTQWGU9	DHAS2_VIBCH	Inhibitor	[1]
Calmodulin (CALM)	TTV3NH6	CALM1_HUMAN; CALM2_HUMAN; CALM3_HUMAN	Inhibitor	[1]
Nitric-oxide synthase endothelial (NOS3)	TTCM4B3	NOS3_HUMAN	Inhibitor	[1]
Pseudomonas UDP-3-O-acyl-GlcNAc deacetylase (Pseudo lpxC)	TT0OFWN	LPXC_PSEAE	Inhibitor	[1]
Thioredoxin (TXN)	TTZJ5U9	THIO_HUMAN	Inhibitor	[1]
Thyroid hormone receptor beta (THRB)	TTGER3L	THB_HUMAN	Inhibitor	[1]

References

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• [2] Effect of tilarginine acetate in patients with acute myocardial infarction and cardiogenic shock: the TRIUMPH randomized controlled trial. JAMA. 2007 Apr 18;297(15):1657-66.
• [3] Counter-regulation by atorvastatin of gene modulations induced by L-NAME hypertension is associated with vascular protection. Vascul Pharmacol. 2009 Oct;51(4):253-61.
• [4] CenterWatch. Drugs in Clinical Trials Database. CenterWatch. 2008.
• [5] Nitric oxide synthase inhibition with the antipterin VAS203 improves outcome in moderate and severe traumatic brain injury: a placebo-controlled randomized Phase IIa trial (NOSTRA). J Neurotrauma. 2014 Oct 1;31(19):1599-606.
• [6] Nitric oxide synthase inhibitor (MTR-105) during open-heart surgery. A pilot double-blind placebo-controlled study of hemodynamic effects and safety. Cardiology. 2008;111(3):181-7.
• [7] Feasibility of using autologous transplantation to evaluate hematopoietic stem cell-based gene therapy strategies in transgenic mouse models of human disease. Mol Ther. 2002 Sep;6(3):422-8.
• [8] Discovery of a series of aminopiperidines as novel iNOS inhibitors. Bioorg Med Chem Lett. 2008 Jan 1;18(1):336-43.
• [9] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [10] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
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• [12] Aprindine inhibits calmodulin-stimulated phosphodiesterase and Ca-ATPase activities. J Cardiovasc Pharmacol. 1983 Jan-Feb;5(1):151-6.
• [13] Calmidazolium evokes high calcium fluctuations in Plasmodium falciparum. Cell Signal. 2016 Mar;28(3):125-135.
• [14] Petrosamine B, an inhibitor of the Helicobacter pylori enzyme aspartyl semialdehyde dehydrogenase from the Australian sponge Oceanapia sp. J Nat Prod. 2005 May;68(5):804-6.
• [15] 2-[(1-methylpropyl)dithio]-1H-imidazole inhibits tubulin polymerization through cysteine oxidation. Mol Cancer Ther. 2008 Jan;7(1):143-51.
• [16] Different drugs for bad bugs: antivirulence strategies in the age of antibiotic resistance. Nat Rev Drug Discov. 2017 Jul;16(7):457-471.
• [17] The global preclinical antibacterial pipeline. Nat Rev Microbiol. 2020 May;18(5):275-285.
• [18] Antibacterial activities and characterization of novel inhibitors of LpxC. Antimicrob Agents Chemother. 2002 Jun;46(6):1793-9.
• [19] Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41.
• [20] 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: 589).
• [21] Lipid lowering in healthy volunteers treated with multiple doses of MGL-3196, a liver-targeted thyroid hormone receptor-beta agonist. Atherosclerosis. 2013 Oct;230(2):373-80.
• [22] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [23] Bacterial biosensors for screening isoform-selective ligands for human thyroid receptors alpha-1 and beta-1. FEBS Open Bio. 2012; 2: 247-253.
• [24] Clinical pipeline report, company report or official report of Viking Therapeutics
• [25] Binding of 3,5,3'-triiodothyronine (T3) and its analogs to the in vitro translational products of c-erbA protooncogenes: differences in the affinity of the alpha- and beta-forms for the acetic acid analog and failure of the human testis and kidney alpha-2 products to bind T3. Mol Endocrinol. 1990 Feb;4(2):227-34.
• [26] Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships. J Med Chem. 2007 Nov 1;50(22):5269-80.