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

General Information of Drug (ID: DMD6L7C)

• Drug Name: 2-methoxyestrrone-3-O-sulfamate Drug Info
• Synonyms: CHEMBL372231; 2-MeOEMATE; 2-methoxyestrrone-3-O-sulfamate; 2-methoxyestrone sulfamate; SCHEMBL307890; BTQHAWWINOTNQQ-QPWUGHHJSA-N; BDBM50171450; 2-methoxy-17-oxo-estra-1,3,5(10)-trien-3-yl sulfamate; (8R,9S,13S,14S)-2-Methoxy-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-3-sulfonic acid amide

Indication

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

• Cross-matching ID:
  PubChem CID: 9842809
  TTD Drug ID: DMD6L7C

Molecule-Related Drug Atlas

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	[4]
Dorzolamide	DMA17D0	Ocular hypertension	9C61.01	Approved	[5]
Chlorothiazide	DMLHESP	Chronic heart failure	BD1Z	Approved	[6]
Ethoxzolamide	DMVO4ED	Glaucoma/ocular hypertension	9C61	Approved	[7]
Dichlorphenamide	DMH7IDQ	Chronic glaucoma	9C61.0Z	Approved	[7]
Cyclothiazide	DMJ4AWC	Congestive heart failure	BD10	Approved	[8]
Ethinamate	DMK57GB	Insomnia	7A00-7A0Z	Approved	[9]
Benzthiazide	DMQWZ0H	High blood pressure	BA00	Approved	[10]
Curcumin	DMQPH29	Solid tumour/cancer	2A00-2F9Z	Phase 3	[11]

Drug(s) Affected By Aromatase (CYP19A1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Letrozole	DMH07Y3	Estrogen-receptor positive breast cancer		Approved	[12]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[13]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[14]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[15]
Citalopram	DM2G9AE	Acute coronary syndrome	BA41	Approved	[14]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[16]
FADROZOLE	DM3C5GZ	Breast cancer	2C60-2C65	Approved	[17]
Bifonazole	DM3KN7V	Fungal infection	1F29-1F2F	Approved	[18]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[19]
Fluoxetine	DM3PD2C	Bipolar depression		Approved	[14]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carbonic anhydrase II (CA-II)	TTANPDJ	CAH2_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Aromatase (CYP19A1)	OTZ6XF74	CP19A_HUMAN	Gene/Protein Processing	[2]

References

• [1] Structure-activity relationships of C-17 cyano-substituted estratrienes as anticancer agents. J Med Chem. 2008 Mar 13;51(5):1295-308.
• [2] Regulation of aromatase activity by cytokines, PGE2 and 2-methoxyoestrone-3-O-sulphamate in fibroblasts derived from normal and malignant breast tissues. J Steroid Biochem Mol Biol. 2005 Feb;94(1-3):167-72.
• [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] Sulfonamide linked neoglycoconjugates--a new class of inhibitors for cancer-associated carbonic anhydrases. J Med Chem. 2010 Apr 8;53(7):2913-26.
• [5] Carbonic anhydrase inhibitors. Inhibition studies of a coral secretory isoform by sulfonamides. Bioorg Med Chem. 2009 Jul 15;17(14):5054-8.
• [6] 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.
• [7] The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
• [8] Selective effect of thiazides on the human osteoblast-like cell line MG-63. Kidney Int. 1996 Nov;50(5):1476-82.
• [9] Inhibition of carbonic anhydrases I and II by N-unsubstituted carbamate esters. J Biol Chem. 1992 Dec 15;267(35):25044-50.
• [10] Nature of the inhibition of carbonic anhydrase by acetazolamide and benzthiazide. J Pharmacol Exp Ther. 1961 Mar;131:271-4.
• [11] Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3.
• [12] Aromatase inhibition: translation into a successful therapeutic approach. Clin Cancer Res. 2005 Apr 15;11(8):2809-21. doi: 10.1158/1078-0432.CCR-04-2187.
• [13] Cannabidiol (CBD) but not tetrahydrocannabinol (THC) dysregulate in vitro decidualization of human endometrial stromal cells by disruption of estrogen signaling. Reprod Toxicol. 2020 Apr;93:75-82. doi: 10.1016/j.reprotox.2020.01.003. Epub 2020 Jan 14.
• [14] Effects of selective serotonin reuptake inhibitors on three sex steroids in two versions of the aromatase enzyme inhibition assay and in the H295R cell assay. Toxicol In Vitro. 2015 Oct;29(7):1729-35.
• [15] Arsenite and cadmium promote the development of mammary tumors. Carcinogenesis. 2020 Jul 14;41(7):1005-1014. doi: 10.1093/carcin/bgz176.
• [16] The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
• [17] Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitors of aldosterone synthase. J Med Chem. 2005 Mar 10;48(5):1563-75.
• [18] Comparative assessment of the inhibition of recombinant human CYP19 (aromatase) by azoles used in agriculture and as drugs for humans. Endocr Res. 2004 Aug;30(3):387-94.
• [19] Estrogen synthesis in human colon cancer epithelial cells. J Steroid Biochem Mol Biol. 1999 Dec 31;71(5-6):223-30.