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

General Information of Drug (ID: DMFRA1Y)

• Drug Name: Phenylarsonic acid Drug Info
• Synonyms: BENZENEARSONIC ACID; 1998/5/5; Monophenylarsonic acid; Arsonic acid, phenyl-; UNII-57F9KU116M; Kyselina benzenarsonova [Czech]; HSDB 6381; EINECS 202-631-9; NSC 15566; Arsonic acid, As-phenyl-; BRN 2935741; AI3-16050; CHEMBL364571; CHEBI:29851; 57F9KU116M; Kyselina benzenarsonova; C6H7AsO3; benzenarsonic acid; Benzenearsonie acid; ACMC-20ajwq; PhAsO3H2; PhAsO(OH)2; AC1Q1HDM; AC1L1OLG; KSC489M9F; 4-16-00-01183 (Beilstein Handbook Reference); SCHEMBL707127; WLN: Q-AS-QO & DTXSID6059158; CTK3I9692; BDBM26997

Indication

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

• Cross-matching ID:
  PubChem CID: 7365
  ChEBI ID: CHEBI:29851
  CAS Number: CAS 98-05-5
  TTD Drug ID: DMFRA1Y

Molecule-Related Drug Atlas

Drug(s) Targeting Carbonic anhydrase (CA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[4]
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[5]
Quinethazone	DMWCOSR	Hypertension	BA00-BA04	Approved	[6]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[7]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[8]
PHENOL	DM1QSM3	N. A.	N. A.	Phase 2/3	[7]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[9]
SULFAMIDE	DMMAS3K	N. A.	N. A.	Phase 1	[10]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[8]
PMID30074415-Compound-21	DM3NPOU	N. A.	N. A.	Patented	[11]

Drug(s) Targeting Carbonic anhydrase IV (CA-IV)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[12]
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[13]
Brinzolamide	DMBAPFG	Ocular hypertension	9C61.01	Approved	[14]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[7]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[8]
PHENOL	DM1QSM3	N. A.	N. A.	Phase 2/3	[7]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[9]
Sodium pyruvate	DMST6A3	Asthma	CA23	Phase 1/2	[15]
SULFAMIDE	DMMAS3K	N. A.	N. A.	Phase 1	[10]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[8]

Drug(s) Affected By Glutaminase kidney isoform, mitochondrial (GLS)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[16]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[17]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[18]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[19]
Cyclophosphamide	DM4O2Z7	Advanced cancer	2A00-2F9Z	Approved	[20]
Acetic Acid, Glacial	DM4SJ5Y	infection in the ear canal	AA0Y	Approved	[21]
Panobinostat	DM58WKG	Chronic graft versus host disease		Approved	[22]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[23]
Calcitriol	DM8ZVJ7	Congenital alopecia	LC30	Approved	[24]
LY2835219	DM93VBZ	Breast cancer	2C60-2C65	Approved	[25]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[2]
Carbonic anhydrase IV (CA-IV)	TTZHA0O	CAH4_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Glutaminase kidney isoform, mitochondrial (GLS)	OTGOZG2M	GLSK_HUMAN	Gene/Protein Processing	[3]

References

• [1] Carbonic anhydrase inhibitors: inhibition of the membrane-bound human isozyme IV with anions. Bioorg Med Chem Lett. 2004 Dec 6;14(23):5769-73.
• [2] Carbonic anhydrase inhibitors: inhibition of the cytosolic human isozyme VII with anions. Bioorg Med Chem Lett. 2006 Jun 15;16(12):3139-43.
• [3] Structure-effect relationship in the down-regulation of glutaminase in cultured human cells by phenylarsenic compounds. Toxicology. 2009 Apr 28;258(2-3):157-63.
• [4] Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3593-6.
• [5] Cloning, expression, post-translational modifications and inhibition studies on the latest mammalian carbonic anhydrase isoform, CA XV. J Med Chem. 2009 Feb 12;52(3):646-54.
• [6] Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for th... Bioorg Med Chem Lett. 2008 Apr 15;18(8):2567-73.
• [7] Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3.
• [8] Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-2164.
• [9] Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-r... Bioorg Med Chem Lett. 2008 Aug 1;18(15):4282-6.
• [10] Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mamm... Bioorg Med Chem Lett. 2010 Jun 15;20(12):3601-5.
• [11] Carbonic anhydrase inhibitors as antitumor/antimetastatic agents: a patent review (2008-2018).Expert Opin Ther Pat. 2018 Oct;28(10):729-740.
• [12] Carbonic anhydrase inhibitors: inhibition of mammalian isoforms I-XIV with a series of substituted phenols including paracetamol and salicylic acid. Bioorg Med Chem. 2008 Aug 1;16(15):7424-8.
• [13] Carbonic anhydrase inhibitors. Inhibition of the membrane-bound human and bovine isozymes IV with sulfonamides. Bioorg Med Chem Lett. 2005 Feb 15;15(4):1149-54.
• [14] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [15] Carbonic anhydrase inhibitors. Interaction of isozymes I, II, IV, V, and IX with carboxylates. Bioorg Med Chem Lett. 2005 Feb 1;15(3):573-8.
• [16] Global molecular effects of tocilizumab therapy in rheumatoid arthritis synovium. Arthritis Rheumatol. 2014 Jan;66(1):15-23.
• [17] 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.
• [18] Effects of ciglitazone and troglitazone on the proliferation of human stomach cancer cells. World J Gastroenterol. 2009 Jan 21;15(3):310-20.
• [19] Development of a neural teratogenicity test based on human embryonic stem cells: response to retinoic acid exposure. Toxicol Sci. 2011 Dec;124(2):370-7.
• [20] Genomic profiling uncovers a molecular pattern for toxicological characterization of mutagens and promutagens in vitro. Toxicol Sci. 2011 Jul;122(1):185-97.
• [21] Motexafin gadolinium and zinc induce oxidative stress responses and apoptosis in B-cell lymphoma lines. Cancer Res. 2005 Dec 15;65(24):11676-88.
• [22] A transcriptome-based classifier to identify developmental toxicants by stem cell testing: design, validation and optimization for histone deacetylase inhibitors. Arch Toxicol. 2015 Sep;89(9):1599-618.
• [23] Essential role of cell cycle regulatory genes p21 and p27 expression in inhibition of breast cancer cells by arsenic trioxide. Med Oncol. 2011 Dec;28(4):1225-54.
• [24] Large-scale in silico and microarray-based identification of direct 1,25-dihydroxyvitamin D3 target genes. Mol Endocrinol. 2005 Nov;19(11):2685-95.
• [25] Biological specificity of CDK4/6 inhibitors: dose response relationship, in vivo signaling, and composite response signature. Oncotarget. 2017 Jul 4;8(27):43678-43691. doi: 10.18632/oncotarget.18435.