Drug Information

Drug General Information
Drug ID
D05DMH
Former ID
DNC003262
Drug Name
(5BETA)-PREGNANE-3,20-DIONE
Drug Type
Small molecular drug
Indication Discovery agent Investigative [539804]
Structure
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2D MOL

3D MOL
Formula
C21H32O2
InChI
InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
InChIKey
XMRPGKVKISIQBV-XWOJZHJZSA-N
PubChem Compound ID
92745
PubChem Substance ID
7839, 121291, 7886603, 8145445, 10225548, 14899139, 14899140, 44423544, 50019522, 57335315, 57391862, 80605625, 85300809, 92297704, 93167031, 99444028, 103144187, 103648019, 104408247, 117622600, 127324447, 127324448, 129710912, 131297313, 135051498, 135650851, 137183493, 152138160, 160968630, 162476054, 180122461, 184578986, 198971312, 224539155, 226970982, 249910350, 252342237
Target and Pathway
Target(s) Retinoic acid receptor RXR-alpha Target Info Inhibitor [551374]
Orphan nuclear receptor NR1I3 Target Info Inhibitor [551374]
KEGG Pathway PPAR signaling pathway
PI3K-Akt signaling pathway
Thyroid hormone signaling pathway
Adipocytokine signaling pathway
Non-alcoholic fatty liver disease (NAFLD)
Bile secretion
Hepatitis C
Pathways in cancer
Transcriptional misregulation in cancer
Thyroid cancer
Small cell lung cancer
Non-small cell lung cancer
PANTHER Pathway Vitamin D metabolism and pathway
Pathway Interaction Database Regulation of Androgen receptor activity
RXR and RAR heterodimerization with other nuclear receptor
Retinoic acid receptors-mediated signaling
a6b1 and a6b4 Integrin signalingreg_gr_pathway:Glucocorticoid receptor regulatory network
Reactome RORA activates gene expression
BMAL1:CLOCK,NPAS2 activates circadian gene expression
Recycling of bile acids and salts
PPARA activates gene expression
Import of palmitoyl-CoA into the mitochondrial matrix
YAP1- and WWTR1 (TAZ)-stimulated gene expression
Regulation of pyruvate dehydrogenase (PDH) complex
Endogenous sterols
Transcriptional activation of mitochondrial biogenesis
Activation of gene expression by SREBF (SREBP)
Transcriptional regulation of white adipocyte differentiation
Nuclear Receptor transcription pathway
Regulation of lipid metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha)
Circadian Clock
WikiPathways Vitamin A and Carotenoid Metabolism
NRF2 pathway
Nuclear Receptors Meta-Pathway
Farnesoid X Receptor Pathway
PPAR Alpha Pathway
Vitamin D Receptor Pathway
Pregnane X Receptor pathway
Constitutive Androstane Receptor Pathway
Liver X Receptor Pathway
Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha)
Transcriptional Regulation of White Adipocyte Differentiation
YAP1- and WWTR1 (TAZ)-stimulated gene expression
Activation of Gene Expression by SREBP (SREBF)
Integrated Pancreatic Cancer Pathway
Adipogenesis
Circadian Clock
Nuclear Receptors
Vitamin D MetabolismWP299:Nuclear Receptors in Lipid Metabolism and Toxicity
Drug Induction of Bile Acid Pathway
References
Ref 539804(http://www.guidetopharmacology.org/) Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2759).
Ref 551374The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.

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