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

General Information of Drug (ID: DMSKU4M)

Drug Name

ETHOXYCOUMARIN Drug Info

Synonyms

7-ETHOXYCOUMARIN; 31005-02-4; 7-ethoxy-2H-chromen-2-one; Ethylumbelliferone; 2H-1-Benzopyran-2-one, 7-ethoxy-; 7-ethoxychromen-2-one; 7-ethoxy-2H-1-benzopyran-2-one; CHEMBL191528; CHEBI:28184; LIFAQMGORKPVDH-UHFFFAOYSA-N; 7-Ethoxycoumarine; EINECS 250-429-4; 7 - Ethoxycoumarin; PubChem8680; Coumarin, 7-ethoxy-; ACMC-209hjx; 7-Ethoxy-chromen-2-one; 7-Ethoxycoumarin, 99.5%; SCHEMBL119072; 7-Ethoxy-1-benzopyran-2-one; AC1L1U91; ZINC57719; CTK4G6277; DTXSID30184983; MolPort-001-759-189; HMS1722P19; KS-000014EB

Indication

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

Cross-matching ID

PubChem CID: 182475
CAS Number: CAS 65216-93-5
TTD Drug ID: DMSKU4M

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Approved Drug(s)

Clinical Trial Drug(s)

Patented Agent(s)

Investigative Drug(s)

Discontinued Drug(s)

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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	[2]
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[3]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[4]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[5]
PHENOL	DM1QSM3	N. A.	N. A.	Phase 2/3	[4]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[6]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[5]
ELLAGIC ACID	DMX8BS5	Discovery agent	N.A.	Investigative	[5]
COUMARIN	DM0N8ZM	Discovery agent	N.A.	Investigative	[1]
CATECHIN	DMY38SB	Discovery agent	N.A.	Investigative	[4]
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Drug(s) Targeting Carbonic anhydrase XIV (CA-XIV)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[7]
TRIENTINE	DMD2WPG	Inborn error of metabolism	5C50-5C59	Approved	[8]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[4]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[5]
PHENOL	DM1QSM3	N. A.	N. A.	Phase 2/3	[4]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[6]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[5]
SPERMINE	DMD4BFY	N. A.	N. A.	Terminated	[8]
ELLAGIC ACID	DMX8BS5	Discovery agent	N.A.	Investigative	[5]
COUMARIN	DM0N8ZM	Discovery agent	N.A.	Investigative	[1]
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Drug(s) Targeting Carbonic anhydrase (CA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[9]
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[10]
Quinethazone	DMWCOSR	Hypertension	BA00-BA04	Approved	[11]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[4]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[5]
PHENOL	DM1QSM3	N. A.	N. A.	Phase 2/3	[4]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[6]
SULFAMIDE	DMMAS3K	N. A.	N. A.	Phase 1	[12]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[5]
PMID30074415-Compound-21	DM3NPOU	N. A.	N. A.	Patented	[13]
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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	[4]
PARABEN	DMEW5Z8	N. A.	N. A.	Phase 3	[5]
PHENOL	DM1QSM3	N. A.	N. A.	Phase 2/3	[4]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[6]
INDISULAM	DM9SX6Y	Lymphoma	2A80-2A86	Phase 2	[14]
Girentuximab I-124	DMG3O2Z	Renal cell carcinoma	2C90	Phase 2	[15]
SULFAMIDE	DMMAS3K	N. A.	N. A.	Phase 1	[16]
BAY 79-4620	DM14XQN	Solid tumour/cancer	2A00-2F9Z	Phase 1	[17]
90Y-cG250	DMJR6TC	Solid tumour/cancer	2A00-2F9Z	Phase 1	[18]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[5]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

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Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase (CA)	TTUNARX	NOUNIPROTAC	Inhibitor	[1]
Carbonic anhydrase IX (CA-IX)	TT2LVK8	CAH9_HUMAN	Inhibitor	[1]
Carbonic anhydrase XII (CA-XII)	TTSYM0R	CAH12_HUMAN	Inhibitor	[1]
Carbonic anhydrase XIV (CA-XIV)	TTEYTKG	CAH14_HUMAN	Inhibitor	[1]

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References

1	Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins. J Med Chem. 2010 Jan 14;53(1):335-44.
2	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.
3	Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem. 2010 Apr 8;53(7):2913-26.
4	Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3.
5	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.
6	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.
7	Carbonic anhydrase inhibitors: inhibition of the transmembrane isozyme XIV with sulfonamides. Bioorg Med Chem Lett. 2005 Sep 1;15(17):3828-33.
8	Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule. J Med Chem. 2010 Aug 12;53(15):5511-22.
9	Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3593-6.
10	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.
11	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.
12	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.
13	Carbonic anhydrase inhibitors as antitumor/antimetastatic agents: a patent review (2008-2018).Expert Opin Ther Pat. 2018 Oct;28(10):729-740.
14	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.
15	Potential role of (124)I-girentuximab in the presurgical diagnosis of clear-cell renal cell cancer. Biologics. 2012;6:395-407.
16	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.
17	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.
18	Application of monoclonal antibody G250 recognizing carbonic anhydrase IX in renal cell carcinoma. Int J Mol Sci. 2013 May 29;14(6):11402-23.