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

General Information of Drug (ID: DMC9Q4D)

• Drug Name: BRN-1999480 Drug Info
• Synonyms: 4-Hydroxyestrone; SCHEMBL223170; (8R,9S,13S,14S)-3,4-Dihydroxy-13-methyl-7,8,9,11,12,13,15,16-octahydro-6H-cyclopenta[a]phenanthren-17(14H)-one; 1,3,5(10)-Estratriene-3,4-diol-17-one; 3,4-Dihydroxyestra-1,3,5(10)-trien-17-one; 3,4-dihydroxy-1,3,5(10)-estratrien-17-one; 3,4-dihydroxy-estra-1,3,5(10)-trien-17-one; 3131-23-5; 3MN57C55S2; 4-Hydroxy Estrone; 4-Hydroxy-Estrone; BIDD:ER0089; BRN 1999480; CCRIS 9275; CHEBI:87602; ESTRA-1,3,5(10)-TRIEN-17-ONE, 3,4-DIHYDROXY-; UNII-3MN57C55S2; estra-1,3,5(10)-triene-3,4-diol-17-one
• Cross-matching ID:
  PubChem CID: 9971251
  ChEBI ID: CHEBI:87602
  CAS Number: CAS 3131-23-5
  TTD Drug ID: DMC9Q4D
  INTEDE Drug ID: DR1977

Molecule-Related Drug Atlas

Drug(s) Metabolized By UDP-glucuronosyltransferase 1A6 (UGT1A6)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Acetaminophen	DMUIE76	Allergic rhinitis	CA08.0	Approved	[7]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[8]
Mycophenolate mofetil	DMPQAGE	Hepatosplenic T-cell lymphoma		Approved	[9]
Propofol	DMB4OLE	Anaesthesia	9A78.6	Approved	[10]
Troglitazone	DM3VFPD	Diabetic complication	5A2Y	Approved	[11]
Aspirin	DM672AH	Acute coronary syndrome	BA41	Approved	[12]
Naproxen	DMZ5RGV	Bursitis		Approved	[13]
Deferiprone	DMS2M7O	Beta thalassemia	3A50.2	Approved	[14]
ANDROSTERONE	DMITJAK	N. A.	N. A.	Phase 3	[1]
BCP-13498	DM2BO9W	N. A.	N. A.	Phase 2	[15]

Drug(s) Affected By Nuclear factor erythroid 2-related factor 2 (NFE2L2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[16]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[17]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[18]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[19]
Selenium	DM25CGV	N. A.	N. A.	Approved	[20]
TECFIDERA	DM2OVDT	Multiple sclerosis	8A40	Approved	[21]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[22]
Lapatinib	DM3BH1Y	Breast cancer	2C60-2C65	Approved	[23]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[24]
Furazolidone	DM3P6V7	Diarrhea	ME05.1	Approved	[25]

Molecular Interaction Atlas of This Drug

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
UDP-glucuronosyltransferase 1A6 (UGT1A6) Main DME	DESD26P	UD16_HUMAN	Substrate	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Nuclear factor erythroid 2-related factor 2 (NFE2L2)	OT0HENJ5	NF2L2_HUMAN	Gene/Protein Processing	[2]
UDP-glucuronosyltransferase 1A1	OTH1C8OJ	UD11_HUMAN	Biotransformations	[3]
UDP-glucuronosyltransferase 1A10	OTOTZVEY	UD110_HUMAN	Biotransformations	[3]
UDP-glucuronosyltransferase 1A3	OTUEOER3	UD13_HUMAN	Biotransformations	[3]
UDP-glucuronosyltransferase 1A7	OTY4JJ32	UD17_HUMAN	Biotransformations	[3]
UDP-glucuronosyltransferase 1A8	OTTMABBG	UD18_HUMAN	Biotransformations	[3]
UDP-glucuronosyltransferase 1A9	OTPCHAFX	UD19_HUMAN	Biotransformations	[3]
UDP-glucuronosyltransferase 2B11	OTVVH26D	UDB11_HUMAN	Biotransformations	[4]
UDP-glucuronosyltransferase 2B15	OTABTFU2	UDB15_HUMAN	Regulation of Drug Effects	[5]
UDP-glucuronosyltransferase 2B7	OT2Q71VQ	UD2B7_HUMAN	Biotransformations	[6]

References

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• [9] Characterization of rat intestinal microsomal UDP-glucuronosyltransferase activity toward mycophenolic acid. Drug Metab Dispos. 2006 Sep;34(9):1632-9.
• [10] Pharmacokinetics of propofol and extrahepatic UGT1A6 gene expression in anhepatic rats. Pharmacology. 2009;84(4):219-26.
• [11] Troglitazone glucuronidation in human liver and intestine microsomes: high catalytic activity of UGT1A8 and UGT1A10. Drug Metab Dispos. 2002 Dec;30(12):1462-9.
• [12] Polymorphisms of Aspirin-Metabolizing Enzymes CYP2C9, NAT2 and UGT1A6 in Aspirin-Intolerant Urticaria. Allergy Asthma Immunol Res. 2011 Oct;3(4):273-6.
• [13] S-Naproxen and desmethylnaproxen glucuronidation by human liver microsomes and recombinant human UDP-glucuronosyltransferases (UGT): role of UGT2B7 in the elimination of naproxen. Br J Clin Pharmacol. 2005 Oct;60(4):423-33.
• [14] Deferiprone glucuronidation by human tissues and recombinant UDP glucuronosyltransferase 1A6: an in vitro investigation of genetic and splice variants. Drug Metab Dispos. 2009 Feb;37(2):322-9.
• [15] Human UGT1A6 pharmacogenetics: identification of a novel SNP, characterization of allele frequencies and functional analysis of recombinant allozymes in human liver tissue and in cultured cells. Pharmacogenetics. 2004 Aug;14(8):487-99.
• [16] Gingival Stromal Cells as an In Vitro Model: Cannabidiol Modulates Genes Linked With Amyotrophic Lateral Sclerosis. J Cell Biochem. 2017 Apr;118(4):819-828. doi: 10.1002/jcb.25757. Epub 2016 Nov 28.
• [17] Protective role of HO-1 for alcohol-dependent liver damage. Dig Dis. 2010;28(6):792-8. doi: 10.1159/000324287. Epub 2011 Apr 27.
• [18] Sertraline induces endoplasmic reticulum stress in hepatic cells. Toxicology. 2014 Aug 1;322:78-88. doi: 10.1016/j.tox.2014.05.007. Epub 2014 May 24.
• [19] Gypenosides protect retinal pigment epithelium cells from oxidative stress. Food Chem Toxicol. 2018 Feb;112:76-85.
• [20] Selenium and vitamin E: cell type- and intervention-specific tissue effects in prostate cancer. J Natl Cancer Inst. 2009 Mar 4;101(5):306-20.
• [21] Distinct Nrf2 Signaling Mechanisms of Fumaric Acid Esters and Their Role in Neuroprotection against 1-Methyl-4-Phenyl-1,2,3,6-Tetrahydropyridine-Induced Experimental Parkinson's-Like Disease. J Neurosci. 2016 Jun 8;36(23):6332-51. doi: 10.1523/JNEUROSCI.0426-16.2016.
• [22] Simvastatin protects dopaminergic neurons against MPP+-induced oxidative stress and regulates the endogenous anti-oxidant system through ERK. Cell Physiol Biochem. 2018;51(4):1957-1968.
• [23] P450 3A-catalyzed O-dealkylation of lapatinib induces mitochondrial stress and activates Nrf2. Chem Res Toxicol. 2016 May 16;29(5):784-96.
• [24] Comparison of phenotypic and transcriptomic effects of false-positive genotoxins, true genotoxins and non-genotoxins using HepG2 cells. Mutagenesis. 2011 Sep;26(5):593-604.
• [25] P21(Waf1/Cip1) plays a critical role in furazolidone-induced apoptosis in HepG2 cells through influencing the caspase-3 activation and ROS generation. Food Chem Toxicol. 2016 Feb;88:1-12. doi: 10.1016/j.fct.2015.12.004. Epub 2015 Dec 11.