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

General Information of Drug (ID: DM78C5A)

• Drug Name: 7-butoxy-2H-chromen-2-one Drug Info
• Synonyms: 7-butoxy-2H-chromen-2-one; 7-BUTOXYCOUMARIN; 7-butoxychromen-2-one; 2H-1-Benzopyran-2-one, 7-butoxy-; CHEMBL571514; 71783-00-1; CBMicro_045472; AC1L4FS0; SCHEMBL6686295; DTXSID40221994; MolPort-002-085-798; ZINC2950199; STK371317; BDBM50303502; AKOS001064182; MCULE-1530014848; BIM-0045671.P001; ST50462808; SR-01000227430

Indication

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

• Cross-matching ID:
  PubChem CID: 156219
  CAS Number: CAS 71783-00-1
  TTD Drug ID: DM78C5A

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	[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]
Coumate	DMVKW0N	Breast cancer	2C60-2C65	Phase 2	[6]
SAR566658	DM6Q295	Solid tumour/cancer	2A00-2F9Z	Phase 2	[7]
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]

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	[9]
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]

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	[10]
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]

Drug(s) Targeting Carbonic anhydrase (CA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Salicyclic acid	DM2F8XZ	Acne vulgaris	ED80	Approved	[11]
Sulfamylon	DMIO1K0	Bacterial infection	1A00-1C4Z	Approved	[3]
Quinethazone	DMWCOSR	Hypertension	BA00-BA04	Approved	[12]
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	[13]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[5]
PMID30074415-Compound-21	DM3NPOU	N. A.	N. A.	Patented	[14]

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	[15]
Girentuximab I-124	DMG3O2Z	Renal cell carcinoma	2C90	Phase 2	[16]
SULFAMIDE	DMMAS3K	N. A.	N. A.	Phase 1	[17]
BAY 79-4620	DM14XQN	Solid tumour/cancer	2A00-2F9Z	Phase 1	[18]
90Y-cG250	DMJR6TC	Solid tumour/cancer	2A00-2F9Z	Phase 1	[19]
FERULIC ACID	DMJC7NF	Discovery agent	N.A.	Patented	[5]

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 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	[1]
Carbonic anhydrase XIV (CA-XIV)	TTEYTKG	CAH14_HUMAN	Inhibitor	[1]

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] 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.
• [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] An Antibody-Drug Conjugate Targeting MUC1-Associated Carbohydrate CA6 Shows Promising Antitumor Activities. Mol Cancer Ther. 2020 Aug;19(8):1660-1669.
• [8] Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule. J Med Chem. 2010 Aug 12;53(15):5511-22.
• [9] Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem. 2010 Apr 8;53(7):2913-26.
• [10] Carbonic anhydrase inhibitors: inhibition of the transmembrane isozyme XIV with sulfonamides. Bioorg Med Chem Lett. 2005 Sep 1;15(17):3828-33.
• [11] Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3593-6.
• [12] 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.
• [13] 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.
• [14] Carbonic anhydrase inhibitors as antitumor/antimetastatic agents: a patent review (2008-2018).Expert Opin Ther Pat. 2018 Oct;28(10):729-740.
• [15] 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.
• [16] Potential role of (124)I-girentuximab in the presurgical diagnosis of clear-cell renal cell cancer. Biologics. 2012;6:395-407.
• [17] 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.
• [18] 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.
• [19] Application of monoclonal antibody G250 recognizing carbonic anhydrase IX in renal cell carcinoma. Int J Mol Sci. 2013 May 29;14(6):11402-23.