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

General Information of Drug (ID: DMGHQ37)

• Drug Name: ICARITIN Drug Info
• Synonyms: Icaritin; 118525-40-9; UNII-UFE666UELY; UFE666UELY; CHEMBL498485; 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one; 3,5,7-Trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one; Icartin; Anhydroicaritin; AC1NSXIV; Icaritin(Anhydroicaritin); MLS006010055; BIDD:ER0021; SCHEMBL4223542; Icaritin, > DTXSID00152154; MolPort-020-006-012; TUUXBSASAQJECY-UHFFFAOYSA-N; HY-N0678; ZINC14762797; BDBM50272527; AKOS015896858; CS-3679; DB12672; NCGC00345813-01; AK168251; SMR004701218

Indication

Disease Entry	ICD 11	Status	REF
Breast cancer	2C60-2C65	Phase 2	[1]

• Cross-matching ID:
  PubChem CID: 5318980
  ChEBI ID: CHEMBL498485
  CAS Number: CAS 118525-40-9
  TTD Drug ID: DMGHQ37
  VARIDT Drug ID: DR00813

Molecule-Related Drug Atlas

Drug(s) Targeting Estrogen receptor (ESR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[4]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[5]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[5]
Estradiol Valerate	DM8MC6O	Hormone replacement therapy	8E01	Approved	[6]
Estradiol Acetate	DM07U2A	Hormone replacement therapy	8E01	Approved	[6]
Estradiol Cypionate	DM27Z5T	Hormone replacement therapy	8E01	Approved	[6]
Ethinyl Estradiol	DMODJ40	Acne vulgaris	ED80	Approved	[7]
Raloxifene	DMDKF3M	Osteoporosis	FB83.0	Approved	[8]
Ospemifene	DMC4GEI	Dyspareunia	GA12	Approved	[9]
Toremifene	DMQYUWG	Breast cancer	2C60-2C65	Approved	[10]

Drug(s) Affected By Cytochrome P450 2C19 (CYP2C19)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Cannabidiol	DM0659E	Dravet syndrome	8A61.11	Approved	[11]
Thioridazine	DM35M8J	Schizophrenia	6A20	Approved	[12]
Voriconazole	DMAOL2S	Aspergillosis	1F20	Approved	[13]
Chloramphenicol	DMFXEWT	Bacterial infection	1A00-1C4Z	Approved	[14]
Capsaicin	DMGMF6V	Back pain	ME84.Z	Approved	[15]
Pentamidine	DMHZJCG	African trypanosomiasis	1F51	Approved	[16]
Stiripentol	DMMSDOY	Dravet syndrome	8A61.11	Approved	[17]
Quinine	DMSWYF5	Malaria	1F40-1F45	Approved	[16]
Desipramine	DMT2FDC	Attention deficit hyperactivity disorder	6A05.Z	Approved	[12]
Amitriptyline	DMK7F9S	Depression	6A70-6A7Z	Approved	[18]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Modulator	[2]

Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Cytochrome P450 2C19 (CYP2C19)	OTFMJYYE	CP2CJ_HUMAN	Gene/Protein Processing	[3]

References

• [1] ClinicalTrials.gov (NCT01972672) The Phase II Study of Icaritin in Patients With Advanced Hepatocellular Carcinoma. U.S. National Institutes of Health.
• [2] A novel prenylflavone restricts breast cancer cell growth through AhR-mediated destabilization of ER protein.Carcinogenesis.2012 May;33(5):1089-97.
• [3] Drug interaction study of flavonoids toward CYP3A4 and their quantitative structure activity relationship (QSAR) analysis for predicting potential effects. Toxicol Lett. 2018 Sep 15;294:27-36.
• [4] Modulators of vascular sex hormone receptors and their effects in estrogen-deficiency states associated with menopause. Recent Pat Cardiovasc Drug Discov. 2008 Nov;3(3):165-86.
• [5] Reprint of Are all estrogens the same Maturitas. 2008 Sep-Oct;61(1-2):195-201.
• [6] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [7] 17alpha-Ethinylestradiol hinders nucleotide excision repair in zebrafish liver cells. Aquat Toxicol. 2009 Dec 13;95(4):273-8.
• [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: 620).
• [9] Clinical pipeline report, company report or official report of Shionogi (2011).
• [10] Effect of selective estrogen receptor modulators on cell proliferation and estrogen receptor activities in normal human prostate stromal and epithe... Prostate Cancer Prostatic Dis. 2009;12(4):375-81.
• [11] 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.
• [12] Inhibition of cytochrome P450 enzymes participating in p-nitrophenol hydroxylation by drugs known as CYP2E1 inhibitors. Chem Biol Interact. 2004 Apr 15;147(3):331-40.
• [13] 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.
• [14] Cytochrome P450 inhibition potential of new psychoactive substances of the tryptamine class. Toxicol Lett. 2016 Jan 22;241:82-94.
• [15] Effects of capsaicin and dihydrocapsaicin on human and rat liver microsomal CYP450 enzyme activities in vitro and in vivo. J Asian Nat Prod Res. 2012;14(4):382-95.
• [16] Application of higher throughput screening (HTS) inhibition assays to evaluate the interaction of antiparasitic drugs with cytochrome P450s. Drug Metab Dispos. 2001 Jan;29(1):30-5.
• [17] Stiripentol. Expert Opin Investig Drugs. 2005 Jul;14(7):905-11.
• [18] ADReCS-Target: target profiles for aiding drug safety research and application. Nucleic Acids Res. 2018 Jan 4;46(D1):D911-D917. doi: 10.1093/nar/gkx899.