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

General Information of Drug (ID: DMPEKTO)

• Drug Name: P-toluenesulfonamide Drug Info
• Synonyms: 4-Methylbenzenesulfonamide; P-TOLUENESULFONAMIDE; 70-55-3; 4-Toluenesulfonamide; Tosylamide; p-Tosylamide; Toluene-4-sulfonamide; p-Tolylsulfonamide; Benzenesulfonamide, 4-methyl-; Tolylsulfonamide; p-Toluenesulfamide; 4-methylbenzene-1-sulfonamide; p-Methylbenzenesulfonamide; p-Toluenesulfonylamide; Toluene-p-sulphonamide; para-Toluenesulfonamide; 4-Toluenesulfanamide; Toluene-4-sulphonamide; UNII-I8266RI90M; 4-Toluenesulfonic acid, amide; HSDB 5203; NSC 9908; EINECS 200-741-1; CHEMBL574; BRN 0472689; 4-Toluenesulfonic acid amide

Indication

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

• Cross-matching ID:
  PubChem CID: 6269
  ChEBI ID: CHEBI:34435
  CAS Number: CAS 70-55-3
  TTD Drug ID: DMPEKTO

Molecule-Related Drug Atlas

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

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	[1]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[5]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[6]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[7]
SAR566658	DM6Q295	Solid tumour/cancer	2A00-2F9Z	Phase 2	[8]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[6]
SPERMINE	DMD4BFY	N. A.	N. A.	Terminated	[9]
ELLAGIC ACID	DMX8BS5	Discovery agent	N.A.	Investigative	[6]
COUMARIN	DM0N8ZM	Discovery agent	N.A.	Investigative	[10]

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

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	[11]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[5]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[6]
PHENOL	DM1QSM3	N. A.	N. A.	Phase 2/3	[5]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[7]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[6]
ELLAGIC ACID	DMX8BS5	Discovery agent	N.A.	Investigative	[6]
COUMARIN	DM0N8ZM	Discovery agent	N.A.	Investigative	[10]
CATECHIN	DMY38SB	Discovery agent	N.A.	Investigative	[5]

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

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	[11]
Dorzolamide	DMA17D0	Ocular hypertension	9C61.01	Approved	[12]
Chlorothiazide	DMLHESP	Chronic heart failure	BD1Z	Approved	[13]
Ethoxzolamide	DMVO4ED	Glaucoma/ocular hypertension	9C61	Approved	[14]
Dichlorphenamide	DMH7IDQ	Chronic glaucoma	9C61.0Z	Approved	[14]
Cyclothiazide	DMJ4AWC	Congestive heart failure	BD10	Approved	[15]
Ethinamate	DMK57GB	Insomnia	7A00-7A0Z	Approved	[16]
Benzthiazide	DMQWZ0H	High blood pressure	BA00	Approved	[17]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[5]

Drug(s) Targeting Carbonic anhydrase (CA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[18]
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[1]
Quinethazone	DMWCOSR	Hypertension	BA00-BA04	Approved	[19]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[5]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[6]
PHENOL	DM1QSM3	N. A.	N. A.	Phase 2/3	[5]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[7]
SULFAMIDE	DMMAS3K	N. A.	N. A.	Phase 1	[20]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[6]
PMID30074415-Compound-21	DM3NPOU	N. A.	N. A.	Patented	[21]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[5]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[6]
PHENOL	DM1QSM3	N. A.	N. A.	Phase 2/3	[5]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[7]
INDISULAM	DM9SX6Y	Lymphoma	2A80-2A86	Phase 2	[22]
Girentuximab I-124	DMG3O2Z	Renal cell carcinoma	2C90	Phase 2	[23]
SULFAMIDE	DMMAS3K	N. A.	N. A.	Phase 1	[24]
BAY 79-4620	DM14XQN	Solid tumour/cancer	2A00-2F9Z	Phase 1	[25]
90Y-cG250	DMJR6TC	Solid tumour/cancer	2A00-2F9Z	Phase 1	[26]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[6]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[2]
Carbonic anhydrase IX (CA-IX)	TT2LVK8	CAH9_HUMAN	Inhibitor	[1]
Carbonic anhydrase VI (CA-VI)	TTCFSPE	CAH6_HUMAN	Inhibitor	[1]
Carbonic anhydrase XII (CA-XII)	TTSYM0R	CAH12_HUMAN	Inhibitor	[3]

References

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• [5] Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3.
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• [8] An Antibody-Drug Conjugate Targeting MUC1-Associated Carbohydrate CA6 Shows Promising Antitumor Activities. Mol Cancer Ther. 2020 Aug;19(8):1660-1669.
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• [11] Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem. 2010 Apr 8;53(7):2913-26.
• [12] Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorg Med Chem. 2009 Jul 15;17(14):5054-8.
• [13] Localization of diuretic effects along the loop of Henle: an in vivo microperfusion study in rats. Clin Sci (Lond). 2000 Apr;98(4):481-8.
• [14] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [15] Selective effect of thiazides on the human osteoblast-like cell line MG-63. Kidney Int. 1996 Nov;50(5):1476-82.
• [16] Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters. J Biol Chem. 1992 Dec 15;267(35):25044-50.
• [17] Nature of the inhibition of carbonic anhydrase by acetazolamide and benzthiazide. J Pharmacol Exp Ther. 1961 Mar;131:271-4.
• [18] Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3593-6.
• [19] 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.
• [20] 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.
• [21] Carbonic anhydrase inhibitors as antitumor/antimetastatic agents: a patent review (2008-2018).Expert Opin Ther Pat. 2018 Oct;28(10):729-740.
• [22] Carbonic anhydrase inhibitors: E7070, a sulfonamide anticancer agent, potently inhibits cytosolic isozymes I and II, and transmembrane, tumor-assoc... Bioorg Med Chem Lett. 2004 Jan 5;14(1):217-23.
• [23] Potential role of (124)I-girentuximab in the presurgical diagnosis of clear-cell renal cell cancer. Biologics. 2012;6:395-407.
• [24] Carbonic anhydrase inhibitors. Inhibition of isozymes I, II, IV, V, and IX with anions isosteric and isoelectronic with sulfate, nitrate, and carbo... Bioorg Med Chem Lett. 2005 Feb 1;15(3):567-71.
• [25] Therapeutic mechanism and efficacy of the antibody-drug conjugate BAY 79-4620 targeting human carbonic anhydrase 9. Mol Cancer Ther. 2012 Feb;11(2):340-9.
• [26] Application of monoclonal antibody G250 recognizing carbonic anhydrase IX in renal cell carcinoma. Int J Mol Sci. 2013 May 29;14(6):11402-23.