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

General Information of Drug (ID: DM0LW7G)

Drug Name
pregnenolone-16alpha-carbonitrile Drug Info
Synonyms 16alpha-carbonitrile, pregnenolone
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Cross-matching ID
PubChem CID
15032
ChEBI ID
CHEBI:35591
CAS Number
CAS 1434-54-4
TTD Drug ID
DM0LW7G

Molecule-Related Drug Atlas

Molecule-Related Drug Atlas
Molecule Type:
DTT
DOT
Drug Status:
Investigative Drug(s)
Approved Drug(s)
Download the Complete Related Drug List
Drug(s) Targeting Pregnane X receptor (NR1I2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
WAY-214950 DM8ODI7 Discovery agent N.A. Investigative [7]
Hyperforin DM2L3PE Discovery agent N.A. Investigative [8]
3-keto-lithocholic acid DM5LUED Discovery agent N.A. Investigative [9]
trihydroxycholestane DMSP56N Discovery agent N.A. Investigative [10]
schisandrin A DMWQ480 Discovery agent N.A. Investigative [11]
Drug(s) Affected By Cytochrome P450 3A4 (CYP3A4)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Eplerenone DMF0NQR Heart failure BD10-BD13 Approved [12]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [13]
Isotretinoin DM4QTBN Acne vulgaris ED80 Approved [14]
Voriconazole DMAOL2S Aspergillosis 1F20 Approved [15]
Proguanil DMBL79I Malaria 1F40-1F45 Approved [16]
Ivermectin DMDBX5F Intestinal strongyloidiasis due to nematode parasite 1F6B Approved [16]
Loratadine DMF3AN7 Allergy 4A80-4A85 Approved [17]
Nelfinavir mesylate DMFX6G8 N. A. N. A. Approved [18]
Capsaicin DMGMF6V Back pain ME84.Z Approved [19]
Axitinib DMGVH6N Renal cell carcinoma 2C90 Approved [20]
⏷ Show the Full List of 10 Drug(s)
Drug(s) Affected By Solute carrier organic anion transporter family member 1A2 (SLCO1A2)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Trospium chloride DM32XZT Discovery agent N.A. Approved [21]
Saquinavir DMG814N Human immunodeficiency virus infection 1C62 Approved [22]
Hydroxyurea DMOQVU9 Chronic myelogenous leukaemia 2A20.0 Approved [23]
Omeprazole DM471KJ Cystic fibrosis CA25 Approved [5]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [24]
Testosterone enanthate DMB6871 N. A. N. A. Approved [25]
Valproate DMCFE9I Epilepsy 8A60-8A68 Approved [26]
Cholecalciferol DMGU74E Adult acute monocytic leukemia Approved [27]
Ethinyl Estradiol DMODJ40 Acne vulgaris ED80 Approved [28]
Vorinostat DMWMPD4 Adult acute monocytic leukemia Approved [29]
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Drug(s) Affected By Peroxisome proliferator-activated receptor alpha (PPARA)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Methotrexate DM2TEOL Anterior urethra cancer Approved [30]
Troglitazone DM3VFPD Diabetic complication 5A2Y Approved [31]
Tretinoin DM49DUI Acne vulgaris ED80 Approved [32]
Arsenic trioxide DM61TA4 Acute lymphoblastic leukaemia 2A85 Approved [33]
Aspirin DM672AH Acute coronary syndrome BA41 Approved [34]
Prasterone DM67VKL Chronic obstructive pulmonary disease CA22 Approved [35]
Marinol DM70IK5 Anorexia nervosa cachexia 6B80 Approved [36]
Testosterone DM7HUNW Hot flushes GA30 Approved [37]
Calcitriol DM8ZVJ7 Congenital alopecia LC30 Approved [38]
Ciclosporin DMAZJFX Graft-versus-host disease 4B24 Approved [39]
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Drug(s) Affected By ATP-binding cassette sub-family C member 3 (ABCC3)
Drug Name Drug ID Indication ICD 11 Highest Status REF
Paclitaxel DMLB81S Breast carcinoma Approved [40]
Methotrexate DM2TEOL Anterior urethra cancer Approved [41]
Etoposide DMNH3PG Acute myelogenous leukaemia 2A41 Approved [42]
Calcipotriol DM03CP7 Psoriasis EA90 Approved [43]
Cannabidiol DM0659E Dravet syndrome 8A61.11 Approved [44]
Fulvestrant DM0YZC6 Breast cancer 2C60-2C65 Approved [45]
Hydrogen peroxide DM1NG5W Infectious disease 1A00-CA43.1 Approved [46]
Prednisone DM2HG4X Acute asthma CA23 Approved [47]
Sulindac DM2QHZU Acute myelogenous leukaemia 2A41 Approved [48]
Simvastatin DM30SGU Arteriosclerosis BD40 Approved [49]
⏷ Show the Full List of 10 Drug(s)

Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas
Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Pregnane X receptor (NR1I2) TT7LCTF NR1I2_HUMAN Agonist [2]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
ATP-binding cassette sub-family C member 3 (ABCC3) OTC3IJV4 MRP3_HUMAN Gene/Protein Processing [3]
Cytochrome P450 3A4 (CYP3A4) OTQGYY83 CP3A4_HUMAN Gene/Protein Processing [4]
Peroxisome proliferator-activated receptor alpha (PPARA) OTK095PP PPARA_HUMAN Gene/Protein Processing [5]
Solute carrier organic anion transporter family member 1A2 (SLCO1A2) OTO70C5O SO1A2_HUMAN Gene/Protein Processing [5]
UDP-glucuronosyltransferase 1-6 OTGTQ2C9 UD16_HUMAN Gene/Protein Processing [6]
UDP-glucuronosyltransferase 1A1 OTH1C8OJ UD11_HUMAN Gene/Protein Processing [6]
UDP-glucuronosyltransferase 1A10 OTOTZVEY UD110_HUMAN Gene/Protein Processing [6]
UDP-glucuronosyltransferase 1A3 OTUEOER3 UD13_HUMAN Gene/Protein Processing [6]
UDP-glucuronosyltransferase 1A4 OT4PU620 UD14_HUMAN Gene/Protein Processing [6]
UDP-glucuronosyltransferase 1A5 OTN90HDQ UD15_HUMAN Gene/Protein Processing [6]

References

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12 The relative role of CYP3A4 and CYP3A5 in eplerenone metabolism. Toxicol Lett. 2019 Oct 15;315:9-13.
13 Characterization of the structural determinants required for potent mechanism-based inhibition of human cytochrome P450 1A1 by cannabidiol. Chem Biol Interact. 2014 May 25;215:62-8.
14 Retinoids activate the RXR/SXR-mediated pathway and induce the endogenous CYP3A4 activity in Huh7 human hepatoma cells. Toxicol Sci. 2006 Jul;92(1):51-60.
15 The novel azole R126638 is a selective inhibitor of ergosterol synthesis in Candida albicans, Trichophyton spp., and Microsporum canis. Antimicrob Agents Chemother. 2004 Sep;48(9):3272-8.
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17 Cetirizine and loratadine-based antihistamines with 5-lipoxygenase inhibitory activity. Bioorg Med Chem Lett. 2004 Nov 15;14(22):5591-4.
18 Mechanism-based inactivation of CYP3A by HIV protease inhibitors. J Pharmacol Exp Ther. 2005 Feb;312(2):583-91.
19 Studies of the toxicological potential of capsinoids, XIII: inhibitory effects of capsaicin and capsinoids on cytochrome P450 3A4 in human liver microsomes. Int J Toxicol. 2010 Mar;29(2 Suppl):22S-6S.
20 Investigation of the effects of axitinib on the pharmacokinetics of loperamide and its main metabolite N-demethylated loperamide in rats by UPLC-MS/MS. Chem Biol Interact. 2019 Sep 1;310:108744. doi: 10.1016/j.cbi.2019.108744. Epub 2019 Jul 9.
21 Expression of drug transporters and drug metabolizing enzymes in the bladder urothelium in man and affinity of the bladder spasmolytic trospium chloride to transporters likely involved in its pharmacokinetics. Mol Pharm. 2015 Jan 5;12(1):171-8.
22 Human organic anion-transporting polypeptide OATP-A (SLC21A3) acts in concert with P-glycoprotein and multidrug resistance protein 2 in the vectorial transport of Saquinavir in Hep G2 cells. Mol Pharm. 2004 Jan 12;1(1):49-56.
23 Transcellular movement of hydroxyurea is mediated by specific solute carrier transporters. Exp Hematol. 2011 Apr;39(4):446-56.
24 Large-scale in silico and microarray-based identification of direct 1,25-dihydroxyvitamin D3 target genes. Mol Endocrinol. 2005 Nov;19(11):2685-95.
25 Transcriptional profiling of testosterone-regulated genes in the skeletal muscle of human immunodeficiency virus-infected men experiencing weight loss. J Clin Endocrinol Metab. 2007 Jul;92(7):2793-802. doi: 10.1210/jc.2006-2722. Epub 2007 Apr 17.
26 From transient transcriptome responses to disturbed neurodevelopment: role of histone acetylation and methylation as epigenetic switch between reversible and irreversible drug effects. Arch Toxicol. 2014 Jul;88(7):1451-68.
27 The SLCO1A2 gene, encoding human organic anion-transporting polypeptide 1A2, is transactivated by the vitamin D receptor. Mol Pharmacol. 2012 Jul;82(1):37-46. doi: 10.1124/mol.112.077909. Epub 2012 Apr 3.
28 UDCA and CDCA alleviate 17-ethinylestradiol-induced cholestasis through PKA-AMPK pathways in rats. Toxicol Appl Pharmacol. 2016 Nov 15;311:12-25. doi: 10.1016/j.taap.2016.10.011. Epub 2016 Oct 12.
29 Definition of transcriptome-based indices for quantitative characterization of chemically disturbed stem cell development: introduction of the STOP-Toxukn and STOP-Toxukk tests. Arch Toxicol. 2017 Feb;91(2):839-864.
30 The contribution of methotrexate exposure and host factors on transcriptional variance in human liver. Toxicol Sci. 2007 Jun;97(2):582-94.
31 The ligands/activators for peroxisome proliferator-activated receptor alpha (PPARalpha) and PPARgamma increase Cu2+,Zn2+-superoxide dismutase and decrease p22phox message expressions in primary endothelial cells. Metabolism. 2001 Jan;50(1):3-11.
32 Development of a neural teratogenicity test based on human embryonic stem cells: response to retinoic acid exposure. Toxicol Sci. 2011 Dec;124(2):370-7.
33 Arsenic trioxide promotes senescence and regulates the balance of adipogenic and osteogenic differentiation in human mesenchymal stem cells. Acta Biochim Biophys Sin (Shanghai). 2011 Mar;43(3):204-9. doi: 10.1093/abbs/gmq130. Epub 2011 Jan 21.
34 Aspirin inhibits MMP-9 mRNA expression and release via the PPARalpha/gamma and COX-2/mPGES-1-mediated pathways in macrophages derived from THP-1 cells. Biomed Pharmacother. 2010 Feb;64(2):118-23. doi: 10.1016/j.biopha.2009.04.033. Epub 2009 Oct 17.
35 Modulation of receptor phosphorylation contributes to activation of peroxisome proliferator activated receptor alpha by dehydroepiandrosterone and other peroxisome proliferators. Mol Pharmacol. 2008 Mar;73(3):968-76. doi: 10.1124/mol.107.036780. Epub 2007 Dec 13.
36 (9)-THC modulation of fatty acid 2-hydroxylase (FA2H) gene expression: possible involvement of induced levels of PPARalpha in MDA-MB-231 breast cancer cells. Toxicology. 2014 Dec 4;326:18-24.
37 Effects of 1alpha,25 dihydroxyvitamin D3 and testosterone on miRNA and mRNA expression in LNCaP cells. Mol Cancer. 2011 May 18;10:58.
38 Cross-talk between vitamin D receptor (VDR)- and peroxisome proliferator-activated receptor (PPAR)-signaling in melanoma cells. Anticancer Res. 2009 Sep;29(9):3647-58.
39 Comparison of HepG2 and HepaRG by whole-genome gene expression analysis for the purpose of chemical hazard identification. Toxicol Sci. 2010 May;115(1):66-79.
40 Evaluation of drug transporters' significance for multidrug resistance in head and neck squamous cell carcinoma. Head Neck. 2011 Jul;33(7):959-68. doi: 10.1002/hed.21559. Epub 2010 Aug 24.
41 Gene expression profiling of leukemia T-cells resistant to methotrexate and 7-hydroxymethotrexate reveals alterations that preserve intracellular levels of folate and nucleotide biosynthesis. Biochem Pharmacol. 2009 Apr 15;77(8):1410-7.
42 Drug sensitivity and drug resistance profiles of human intrahepatic cholangiocarcinoma cell lines. World J Gastroenterol. 2005 May 14;11(18):2748-53. doi: 10.3748/wjg.v11.i18.2748.
43 Adaptive homeostasis of the vitamin D-vitamin D nuclear receptor axis in 8-methoxypsoralen-induced hepatotoxicity. Toxicol Appl Pharmacol. 2019 Jan 1;362:150-158. doi: 10.1016/j.taap.2018.11.002. Epub 2018 Nov 10.
44 Cannabidiol induces antioxidant pathways in keratinocytes by targeting BACH1. Redox Biol. 2020 Jan;28:101321. doi: 10.1016/j.redox.2019.101321. Epub 2019 Sep 5.
45 Estrogen regulation in human breast cancer cells of new downstream gene targets involved in estrogen metabolism, cell proliferation and cell transformation. J Mol Endocrinol. 2004 Apr;32(2):397-414.
46 Global gene expression analysis reveals differences in cellular responses to hydroxyl- and superoxide anion radical-induced oxidative stress in caco-2 cells. Toxicol Sci. 2010 Apr;114(2):193-203. doi: 10.1093/toxsci/kfp309. Epub 2009 Dec 31.
47 Differential regulation of the human MRP2 and MRP3 gene expression by glucocorticoids. J Steroid Biochem Mol Biol. 2005 Aug;96(3-4):229-34. doi: 10.1016/j.jsbmb.2005.03.004.
48 Induction of multidrug resistance proteins MRP1 and MRP3 and gamma-glutamylcysteine synthetase gene expression by nonsteroidal anti-inflammatory drugs in human colon cancer cells. Biochem Biophys Res Commun. 2002 Feb 8;290(5):1427-33. doi: 10.1006/bbrc.2002.6367.
49 Activation of nuclear factor-kappa B pathway by simvastatin and RhoA silencing increases doxorubicin cytotoxicity in human colon cancer HT29 cells. Mol Pharmacol. 2008 Aug;74(2):476-84.