Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0X4LQ
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| Former ID |
DNC001617
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| Drug Name |
3-MeSO2-DDE
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| 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)-
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C15H10Cl4O2S
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| Canonical SMILES |
CS(=O)(=O)C1=C(C=CC(=C1)Cl)C(=C(Cl)Cl)C2=CC=C(C=C2)Cl
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| InChI |
1S/C15H10Cl4O2S/c1-22(20,21)13-8-11(17)6-7-12(13)14(15(18)19)9-2-4-10(16)5-3-9/h2-8H,1H3
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| InChIKey |
YQCQEXWXRQQMAR-UHFFFAOYSA-N
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| CAS Number |
CAS 62938-14-1
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Steroid 11-beta-hydroxylase (CYP11B1) | Target Info | Inhibitor | [1] |
| BioCyc | Superpathway of steroid hormone biosynthesis | |||
| Glucocorticoid biosynthesis | ||||
| Mineralocorticoid biosynthesis | ||||
| KEGG Pathway | Steroid hormone biosynthesis | |||
| Metabolic pathways | ||||
| Pathwhiz Pathway | Steroidogenesis | |||
| Reactome | Glucocorticoid biosynthesis | |||
| Endogenous sterols | ||||
| WikiPathways | Metapathway biotransformation | |||
| Oxidation by Cytochrome P450 | ||||
| Metabolism of steroid hormones and vitamin D | ||||
| Corticotropin-releasing hormone | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 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. | |||
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