Drug General Information
Drug ID
D03TNT
Former ID
DNC002614
Drug Name
(11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [551374]
Structure
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2D MOL

3D MOL

Formula
C21H30O4
Canonical SMILES
CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4C(=O)CO)C)O
InChI
1S/C21H30O4/c1-20-8-7-13(23)9-12(20)3-4-14-15-5-6-16(18(25)11-22)21(15,2)10-17(24)19(14)20/h9,14-17,19,22,24H,3-8,10-11H2,1-2H3/t14-,15-,16+,17-,19+,20-,21-/m0/s1
InChIKey
OMFXVFTZEKFJBZ-HJTSIMOOSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Corticosteroid 11-beta-dehydrogenase, isozyme 1 Target Info Inhibitor [551374]
Mineralocorticoid receptor Target Info Inhibitor [551374]
KEGG Pathway Steroid hormone biosynthesis
Metabolism of xenobiotics by cytochrome P450
Metabolic pathways
Chemical carcinogenesishsa04960:Aldosterone-regulated sodium reabsorption
NetPath Pathway IL1 Signaling Pathway
FSH Signaling Pathway
PathWhiz Pathway SteroidogenesisPW000147:Kidney Function
Reactome Glucocorticoid biosynthesis
WikiPathways Prostaglandin Synthesis and Regulation
Metabolism of steroid hormones and vitamin D
Glucocorticoid & Mineralcorticoid MetabolismWP554:ACE Inhibitor Pathway
References
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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