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

General Information of Drug (ID: DMAWEQH)

• Drug Name: 3-MeSO2-DDE Drug Info
• Synonyms: 1-Chloro-4-(2,2-dichloro-1-(4-chlorophenyl)ethenyl)-3-(methylsulfonyl)benzene; Meso2-dde; 62938-14-1; 3-Methylsulfonyl-dde; 3-Meso(2)-dde; AC1Q3QDJ; AC1L3O8E; CTK2F6395; DTXSID20212143; 5-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)vinyl]phenyl methyl sulfone; 2-(2-methylsulphonyl-4-chlorophenyl)-2-(4-chlorophenyl)-1,1-dichloroethene; Benzene, 4-chloro-1-(2,2-dichloro-1-(4-chlorophenyl)ethenyl)-2-(methylsulfonyl)-

Indication

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

• Cross-matching ID:
  PubChem CID: 119115
  CAS Number: CAS 62938-14-1
  TTD Drug ID: DMAWEQH

Molecule-Related Drug Atlas

Drug(s) Targeting Steroid 11-beta-hydroxylase (CYP11B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
FADROZOLE	DM3C5GZ	Breast cancer	2C60-2C65	Approved	[3]
Osilodrostat	DMIJC9X	Cushing disease	5A70	Approved	[4]
Metyrapone	DMI7FVQ	Cushing disease	5A70	Approved	[1]
4'-(Pyridin-4-ylmethyl)biphenyl-3,4-diol	DM6Z5EK	Discovery agent	N.A.	Investigative	[5]
4-Indan-(1Z)-ylidenemethyl-pyridine	DM25DR7	Discovery agent	N.A.	Investigative	[6]
4-[(4'-Hydroxybiphenyl-4-yl)methyl]pyridine	DMIEMWA	Discovery agent	N.A.	Investigative	[5]
4-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyridine	DMY08FE	Discovery agent	N.A.	Investigative	[6]
5-[5-Fluoro-indan-(1E)-ylidenemethyl]-pyrimidine	DM2RIHT	Discovery agent	N.A.	Investigative	[6]
4-((1H-imidazol-1-yl)methyl)benzonitrile	DMFUBRC	Discovery agent	N.A.	Investigative	[3]
4-[5-Fluoro-indan-(1Z)-ylidenemethyl]-pyridine	DMHDZUO	Discovery agent	N.A.	Investigative	[6]

Drug(s) Affected By Steroidogenic acute regulatory protein, mitochondrial (STAR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Etretinate	DM2CZFA	Keratosis	ED56	Approved	[7]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[8]
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[9]
Lamotrigine	DM8SXYG	Bipolar disorder	6A60	Approved	[10]
Ciclosporin	DMAZJFX	Graft-versus-host disease	4B24	Approved	[11]
Lindane	DMB8CNL	Infestations of lice and scabies	1G00.Z	Approved	[12]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[13]
Ethanol	DMDRQZU	Chronic pain	MG30	Approved	[14]
Hydrocortisone	DMGEMB7	Acne vulgaris	ED80	Approved	[15]
Mifepristone	DMGZQEF	Cushing disease	5A70	Approved	[16]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Steroid 11-beta-hydroxylase (CYP11B1)	TTIQUX7	C11B1_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Steroidogenic acute regulatory protein, mitochondrial (STAR)	OTFEZ5AI	STAR_HUMAN	Gene/Protein Processing	[2]

References

• [1] Effects of 3-MeSO2-DDE and some CYP inhibitors on glucocorticoid steroidogenesis in the H295R human adrenocortical carcinoma cell line. Toxicol In Vitro. 2002 Apr;16(2):113-21.
• [2] Biphasic hormonal responses to the adrenocorticolytic DDT metabolite 3-methylsulfonyl-DDE in human cells. Toxicol Appl Pharmacol. 2010 Feb 1;242(3):281-9.
• [3] Synthesis, biological evaluation, and molecular modeling of 1-benzyl-1H-imidazoles as selective inhibitors of aldosterone synthase (CYP11B2). J Med Chem. 2010 Feb 25;53(4):1712-25.
• [4] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2020
• [5] Replacement of imidazolyl by pyridyl in biphenylmethylenes results in selective CYP17 and dual CYP17/CYP11B1 inhibitors for the treatment of prosta... J Med Chem. 2010 Aug 12;53(15):5749-58.
• [6] Synthesis and evaluation of (pyridylmethylene)tetrahydronaphthalenes/-indanes and structurally modified derivatives: potent and selective inhibitor... J Med Chem. 2005 Mar 10;48(5):1563-75.
• [7] Retinoids and retinol differentially regulate steroid biosynthesis in ovarian theca cells isolated from normal cycling women and women with polycystic ovary syndrome. J Clin Endocrinol Metab. 2005 Aug;90(8):4858-65. doi: 10.1210/jc.2005-0330. Epub 2005 May 24.
• [8] Transcriptional and Metabolic Dissection of ATRA-Induced Granulocytic Differentiation in NB4 Acute Promyelocytic Leukemia Cells. Cells. 2020 Nov 5;9(11):2423. doi: 10.3390/cells9112423.
• [9] Essential role of cell cycle regulatory genes p21 and p27 expression in inhibition of breast cancer cells by arsenic trioxide. Med Oncol. 2011 Dec;28(4):1225-54.
• [10] Antiepileptic drugs are endocrine disruptors for the human fetal testis ex vivo. Toxicol Sci. 2023 Sep 28;195(2):169-183. doi: 10.1093/toxsci/kfad076.
• [11] Integrating multiple omics to unravel mechanisms of Cyclosporin A induced hepatotoxicity in vitro. Toxicol In Vitro. 2015 Apr;29(3):489-501.
• [12] Steroidogenic gene expression in H295R cells and the human adrenal gland: adrenotoxic effects of lindane in vitro. J Appl Toxicol. 2006 Nov-Dec;26(6):484-92.
• [13] Differential effects of antiepileptic drugs on steroidogenesis in a human in vitro cell model. Acta Neurol Scand Suppl. 2009;(189):14-21.
• [14] Chronic ethanol exposure increases goosecoid (GSC) expression in human embryonic carcinoma cell differentiation. J Appl Toxicol. 2014 Jan;34(1):66-75.
• [15] Glucocorticoid-activation system mediated glucocorticoid-insulin-like growth factor 1 (GC-IGF1) axis programming alteration of adrenal dysfunction induced by prenatal caffeine exposure. Toxicol Lett. 2019 Mar 1;302:7-17.
• [16] Mifepristone induced progesterone withdrawal reveals novel regulatory pathways in human endometrium. Mol Hum Reprod. 2007 Sep;13(9):641-54.