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

General Information of Drug (ID: DMFCMPS)

• Drug Name: Daidzin Drug Info
• Synonyms: AC1N4RYA; MLS000563445; SCHEMBL3423674; CHEMBL115316; KYQZWONCHDNPDP-UHFFFAOYSA-N; HMS3604G15; HMS3348J07; HMS2194K16; AKOS024284500; AC-6036; MCULE-3802707688; SMR000232339; ST077114; SR-01000721602; SR-01000721602-3; I06-0227; 3-(4-hydroxyphenyl)-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one; 4H-1-Benzopyran-4-one, 7-(.beta.-D-glucopyranosyloxy)-3-(4-hydroxyphenyl)-; 3-(4-hydroxyphenyl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
• Cross-matching ID:
  PubChem CID: 107971
  ChEBI ID: CHEBI:42202
  CAS Number: CAS 552-66-9
  TTD Drug ID: DMFCMPS

Molecule-Related Drug Atlas

Drug(s) Targeting Mitochondrial aldehyde dehydrogenase (ALDH2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
ALD-401	DM2U530	Cerebrovascular ischaemia	8B1Z	Phase 2	[3]
GS-6637	DMXG3T1	Substance use disorder	6C4Z	Phase 1	[4]
ANS-6637	DM39QWN	Substance use disorder	6C4Z	Phase 1	[5]
FP-045	DMV9FTH	Cardiovascular disease	BA00-BE2Z	Phase 1	[6]
Nicotinamide-Adenine-Dinucleotide	DM9LRKB	N. A.	N. A.	Investigative	[1]
crotylaldehyde	DMTWRQI	Discovery agent	N.A.	Investigative	[1]
ISOFORMONENTIN	DM5CMA8	Discovery agent	N.A.	Investigative	[7]
prunetin	DMPD41Q	Discovery agent	N.A.	Investigative	[7]
CVT-10216	DMDH6PJ	Alcohol dependence	6C40.2	Investigative	[8]

Drug(s) Affected By Protein c-Fos (FOS)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Arsenic trioxide	DM61TA4	Acute lymphoblastic leukaemia	2A85	Approved	[9]
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[10]
Verapamil	DMA7PEW	Angina pectoris	BA40	Approved	[11]
Sertraline	DM0FB1J	Coronary heart disease	BA80.Z	Approved	[12]
Acebutolol	DM0TI4U	Hypertension	BA00-BA04	Approved	[11]
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[13]
Hydrogen peroxide	DM1NG5W	Infectious disease	1A00-CA43.1	Approved	[14]
Methotrexate	DM2TEOL	Anterior urethra cancer		Approved	[15]
Simvastatin	DM30SGU	Arteriosclerosis	BD40	Approved	[16]
Quercetin	DM3NC4M	Obesity	5B81	Approved	[17]

Drug(s) Affected By Progesterone receptor (PGR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Fulvestrant	DM0YZC6	Breast cancer	2C60-2C65	Approved	[18]
Drospirenone	DM1A9W3	Acne vulgaris	ED80	Approved	[19]
Tretinoin	DM49DUI	Acne vulgaris	ED80	Approved	[20]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[21]
Tibolone	DM78XFG	Anabolic metabolism	5C50-5C8Z	Approved	[22]
Testosterone	DM7HUNW	Hot flushes	GA30	Approved	[23]
Exemestane	DM9HPW3	Hormonally-responsive breast cancer	2C60-2C65	Approved	[24]
Goserelin	DMAT8CG	Breast cancer	2C60-2C65	Approved	[25]
Lindane	DMB8CNL	Infestations of lice and scabies	1G00.Z	Approved	[26]
Valproate	DMCFE9I	Epilepsy	8A60-8A68	Approved	[27]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Mitochondrial aldehyde dehydrogenase (ALDH2)	TTFLN4T	ALDH2_HUMAN	Inhibitor	[1]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Progesterone receptor (PGR)	OT0FZ3QE	PRGR_HUMAN	Gene/Protein Processing	[2]
Protein c-Fos (FOS)	OTJBUVWS	FOS_HUMAN	Gene/Protein Processing	[2]

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
• [2] Intestinal bacteria activate estrogenic effect of main constituents puerarin and daidzin of Pueraria thunbergiana. Biol Pharm Bull. 2006 Dec;29(12):2432-5. doi: 10.1248/bpb.29.2432.
• [3] A novel aldehyde dehydrogenase-3 activator leads to adult salivary stem cell enrichment in vivo. Clin Cancer Res. 2011 Dec 1;17(23):7265-72.
• [4] Clinical pipeline report, company report or official report of Gilead.
• [5] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [6] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [7] Structure of daidzin, a naturally occurring anti-alcohol-addiction agent, in complex with human mitochondrial aldehyde dehydrogenase. J Med Chem. 2008 Aug 14;51(15):4482-7.
• [8] URL: 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. (Target id: 2595).
• [9] Essential role of cell cycle regulatory genes p21 and p27 expression in inhibition of breast cancer cells by arsenic trioxide. Med Oncol. 2011 Dec;28(4):1225-54.
• [10] Cannabidiol Activates Neuronal Precursor Genes in Human Gingival Mesenchymal Stromal Cells. J Cell Biochem. 2017 Jun;118(6):1531-1546. doi: 10.1002/jcb.25815. Epub 2016 Dec 29.
• [11] Selection of drugs to test the specificity of the Tg.AC assay by screening for induction of the gadd153 promoter in vitro. Toxicol Sci. 2003 Aug;74(2):260-70. doi: 10.1093/toxsci/kfg113. Epub 2003 May 2.
• [12] 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.
• [13] 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.
• [14] Microarray analysis of H2O2-, HNE-, or tBH-treated ARPE-19 cells. Free Radic Biol Med. 2002 Nov 15;33(10):1419-32.
• [15] Methotrexate induces production of IL-1 and IL-6 in the monocytic cell line U937. Arthritis Res Ther. 2014 Jan 20;16(1):R17. doi: 10.1186/ar4444.
• [16] Simvastatin inhibits NOR-1 expression induced by hyperlipemia by interfering with CREB activation. Cardiovasc Res. 2005 Aug 1;67(2):333-41. doi: 10.1016/j.cardiores.2005.03.016. Epub 2005 Apr 21.
• [17] The G protein-coupled receptor GPR30 mediates c-fos up-regulation by 17beta-estradiol and phytoestrogens in breast cancer cells. J Biol Chem. 2004 Jun 25;279(26):27008-16. doi: 10.1074/jbc.M403588200. Epub 2004 Apr 16.
• [18] Effects of the environmental estrogens bisphenol A, o,p'-DDT, p-tert-octylphenol and coumestrol on apoptosis induction, cell proliferation and the expression of estrogen sensitive molecular parameters in the human breast cancer cell line MCF-7. J Steroid Biochem Mol Biol. 2002 Jan;80(1):61-70. doi: 10.1016/s0960-0760(01)00173-x.
• [19] Conception and pharmacodynamic profile of drospirenone. Steroids. 2003 Nov;68(10-13):891-905. doi: 10.1016/j.steroids.2003.08.008.
• [20] Biological activity of all-trans-retinoic acid with and without tamoxifen and alpha-interferon 2a in breast cancer patients. Int J Oncol. 2000 Nov;17(5):991-1000. doi: 10.3892/ijo.17.5.991.
• [21] Estrogen-induced loss of progesterone receptor expression in normal and malignant ovarian surface epithelial cells. Oncogene. 2005 Jun 23;24(27):4388-400. doi: 10.1038/sj.onc.1208623.
• [22] Tibolone and its metabolites enhance tissue factor and PAI-1 expression in human endometrial stromal cells: Evidence of progestogenic effects. Steroids. 2005 Nov;70(12):840-5. doi: 10.1016/j.steroids.2005.04.010.
• [23] Expression of estrogen-, progesterone-, and androgen-responsive genes in MCF-7 and MDA-MB-231 cells treated with o,p'-DDT, p,p'-DDT, or endosulfan. J Biochem Mol Toxicol. 2021 Jun;35(6):1-8. doi: 10.1002/jbt.22773. Epub 2021 Mar 16.
• [24] Characterization of the weak estrogen receptor alpha agonistic activity of exemestane. Breast Cancer Res Treat. 2009 Aug;116(3):461-70. doi: 10.1007/s10549-008-0151-x. Epub 2008 Aug 3.
• [25] A comparative study of the effect of raloxifene and gosereline on uterine leiomyoma volume changes and estrogen receptor, progesterone receptor, bcl-2 and p53 expression immunohistochemically in premenopausal women. Eur J Obstet Gynecol Reprod Biol. 2007 Nov;135(1):94-103. doi: 10.1016/j.ejogrb.2006.07.042. Epub 2006 Sep 14.
• [26] Serum free BG-1 cell proliferation assay: a sensitive method for determining organochlorine pesticide estrogen receptor activation at the nanomolar range. Toxicol In Vitro. 2006 Apr;20(3):382-94. doi: 10.1016/j.tiv.2005.08.016. Epub 2005 Oct 19.
• [27] Integrative omics data analyses of repeated dose toxicity of valproic acid in vitro reveal new mechanisms of steatosis induction. Toxicology. 2018 Jan 15;393:160-170.