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

General Information of Drug (ID: DMDX0VI)

• Drug Name: Trecadrine Drug Info
• Synonyms: 90845-56-0; AC1L241B; SCHEMBL10553786; HY-U00303; CS-7288; KB-124998; L001625; Sulfenamido-sulfonamides

Indication

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

• Cross-matching ID:
  PubChem CID: 65823
  TTD Drug ID: DMDX0VI

Molecule-Related Drug Atlas

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[3]
Ethoxzolamide	DMVO4ED	Glaucoma/ocular hypertension	9C61	Approved	[4]
Dichlorphenamide	DMH7IDQ	Chronic glaucoma	9C61.0Z	Approved	[4]
Methazolamide	DM7J2TA	Glaucoma/ocular hypertension	9C61	Approved	[5]
Acetazolamide	DM1AF5U	Absence epilepsy		Approved	[4]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[6]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[7]
CG-100649	DMIKMA9	Arthritis	FA20	Phase 3	[8]
PHENOL	DM1QSM3	N. A.	N. A.	Phase 2/3	[6]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[9]

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	[3]
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[10]
Dorzolamide	DMA17D0	Ocular hypertension	9C61.01	Approved	[11]
Chlorothiazide	DMLHESP	Chronic heart failure	BD1Z	Approved	[12]
Ethoxzolamide	DMVO4ED	Glaucoma/ocular hypertension	9C61	Approved	[13]
Dichlorphenamide	DMH7IDQ	Chronic glaucoma	9C61.0Z	Approved	[13]
Cyclothiazide	DMJ4AWC	Congestive heart failure	BD10	Approved	[14]
Ethinamate	DMK57GB	Insomnia	7A00-7A0Z	Approved	[15]
Benzthiazide	DMQWZ0H	High blood pressure	BA00	Approved	[16]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[6]

Drug(s) Targeting Adrenergic receptor beta-3 (ADRB3)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Mirabegron	DMS1GYT	Overactive bladder	GC50.0	Approved	[17]
Trihexyphenidyl	DMB19L8	Dystonia	8A02	Approved	[18]
Amosulalol	DML8QSZ	Hypertension	BA00-BA04	Approved	[19]
Bopindolol	DMIFYLX	Hypertension	BA00-BA04	Approved	[20]
Mepindolol	DMUDWP9	Angina pectoris	BA40	Approved	[21]
Rimiterol	DMA47C6	Asthma	CA23	Approved	[22]
Bitolterol	DMK6XAV	Chronic obstructive pulmonary disease	CA22	Approved	[23]
Nipradilol	DMA65ER	Angina pectoris	BA40	Approved	[24]
Vibegron	DMFR201	Overactive bladder	GC50.0	Approved	[25]
ONO-2506	DMCA2PJ	Stroke	8B20	Phase 2/3	[26]

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	[3]
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[27]
Brinzolamide	DMBAPFG	Ocular hypertension	9C61.01	Approved	[4]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[6]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[7]
PHENOL	DM1QSM3	N. A.	N. A.	Phase 2/3	[6]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[9]
Sodium pyruvate	DMST6A3	Asthma	CA23	Phase 1/2	[28]
SULFAMIDE	DMMAS3K	N. A.	N. A.	Phase 1	[29]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[7]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Adrenergic receptor beta-3 (ADRB3)	TTMXGCW	ADRB3_HUMAN	Agonist	[2]
Carbonic anhydrase I (CA-I)	TTHQPL7	CAH1_HUMAN	Inhibitor	[1]
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]
Carbonic anhydrase IV (CA-IV)	TTZHA0O	CAH4_HUMAN	Inhibitor	[1]

References

• [1] Sulfenamido-sulfonamides as inhibitors of carbonic anhydrase isozymes I, II and IV. J Enzyme Inhib. 1997 Aug;12(3):175-90.
• [2] Potential anti-diabetic applications of a new molecule with affinity for beta 3-adrenoceptors. Life Sci. 1996;59(11):PL141-6.
• [3] 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.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [5] 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: 2597).
• [6] Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3.
• [7] 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.
• [8] Understanding the Dual Inhibition of COX-2 and Carbonic Anhydrase-II by Celecoxib and CG100649 Using Density Functional Theory Calculations and other Molecular Modelling Approaches. Protein Pept Lett. 2015;22(10):903-12.
• [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] Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem. 2010 Apr 8;53(7):2913-26.
• [11] Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorg Med Chem. 2009 Jul 15;17(14):5054-8.
• [12] 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.
• [13] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [14] Selective effect of thiazides on the human osteoblast-like cell line MG-63. Kidney Int. 1996 Nov;50(5):1476-82.
• [15] Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters. J Biol Chem. 1992 Dec 15;267(35):25044-50.
• [16] Nature of the inhibition of carbonic anhydrase by acetazolamide and benzthiazide. J Pharmacol Exp Ther. 1961 Mar;131:271-4.
• [17] Nat Rev Drug Discov. 2013 Feb;12(2):87-90.
• [18] Obesity: pathophysiology and clinical management. Curr Med Chem. 2009;16(4):506-21.
• [19] Effects of amosulalol, a combined alpha 1- and beta-adrenoceptor-blocking agent, on ischemic myocardial energy metabolism in dogs. J Pharm Sci. 1993 Mar;82(3):291-5.
• [20] Effect of propranolol, alprenolol, pindolol, and bopindolol on beta 2-adrenoceptor density in human lymphocytes. J Cardiovasc Pharmacol. 1986;8 Suppl 6:S70-3.
• [21] Pharmacological studies on the intrinsic sympathomimetic activity of the beta-adrenoceptor antagonist mepindolol. Arzneimittelforschung. 1986 May;36(5):811-3.
• [22] Comparison of the beta2-adrenoceptor selectivity of rimiterol, salbutamol and isoprenaline by the intravenous route in man. Br J Clin Pharmacol. 1975 Feb;2(1):41-8.
• [23] Bitolterol mesylate: a beta-adrenergic agent. Chemistry, pharmacokinetics, pharmacodynamics, adverse effects and clinical efficacy in asthma. Pharmacotherapy. 1985 May-Jun;5(3):127-37.
• [24] Actions of nipradilol (K-351), a new alpha- and beta-adrenoceptor blocker, on the rabbit portal vein. Jpn J Pharmacol. 1984 Aug;35(4):359-69.
• [25] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [26] FR149175, a beta 3-adrenoceptor-selective agonist, is a possible therapeutic agent for non-insulin-dependent diabetes mellitus. Jpn J Pharmacol. 1997 May;74(1):109-12.
• [27] 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.
• [28] 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.
• [29] 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.