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

General Information of Drug (ID: DMPTI1Z)

• Drug Name: 3-[1-ethyl-2-(3-hydroxyphenyl)butyl]phenol Drug Info
• Synonyms: Metahexes trol; 3,3'-Hexestrol; Metahexestrol; 3,3'-Hes; 68266-24-0; meso-3,4-Bis(3'-hydroxyphenyl)hexane; BRN 3971661; NSC-297,170; meso-3,3'-(1,2-Diethylethylene)diphenol; NSC-297170; (R*,S*)-3,3'-(1,2-Diethyl-1,2-ethanediyl)bisphenol; Phenol, 3,3'-(1,2-diethyl-1,2-ethanediyl)bis-, (R*,S*)-; Phenol, 3,3'-((1R,2S)-1,2-diethyl-1,2-ethanediyl)bis-, rel-; UNII-DSF584X94B; DSF584X94B; NSC 297170; 3-[4-(3-hydroxyphenyl)hexan-3-yl]phenol; AC1L2OPY; 1,2-Diethyl-1,2-bis(3'-hydroxyphenyl)ethane; AC1Q79WV; CHEMBL18268; SCHEMBL5014485

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Cross-matching ID:
  PubChem CID: 100424
  CAS Number: CAS 68266-24-0
  TTD Drug ID: DMPTI1Z

Molecule-Related Drug Atlas

Drug(s) Targeting Estrogen receptor beta (ESR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Conjugated Estrogens	DMLT0E1	Dyspareunia	GA12	Approved	[2]
Trilostane	DMQZ9GF	Cushing disease	5A70	Approved	[3]
ARZOXIFENE	DMOKCVI	Breast cancer	2C60-2C65	Approved	[4]
Estrogen	DMGY0UT	Menopause symptom	GA30.0	Approved	[5]
MF-101	DM8Z0I3	Hepatitis virus infection	1E50-1E51	Phase 3	[6]
Genistein	DM0JETC	Menopause symptom	GA30.0	Phase 2/3	[7]
AUS-131	DMUXO3Z	Hot flushes	GA30	Phase 2	[8]
ERB-041	DMCEPUA	Inflammatory bowel disease	DD72	Phase 2	[9]
Erteberel	DMU1XZD	Prostate hyperplasia	GA90	Phase 2	[10]
VG-101	DMAN21O	Menopause symptom	GA30.0	Phase 1/2	[11]

Drug(s) Targeting Estrogen receptor (ESR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[12]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[13]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[13]
Estradiol Valerate	DM8MC6O	Hormone replacement therapy	8E01	Approved	[3]
Estradiol Acetate	DM07U2A	Hormone replacement therapy	8E01	Approved	[3]
Estradiol Cypionate	DM27Z5T	Hormone replacement therapy	8E01	Approved	[3]
Ethinyl Estradiol	DMODJ40	Acne vulgaris	ED80	Approved	[14]
Raloxifene	DMDKF3M	Osteoporosis	FB83.0	Approved	[15]
Ospemifene	DMC4GEI	Dyspareunia	GA12	Approved	[16]
Toremifene	DMQYUWG	Breast cancer	2C60-2C65	Approved	[17]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Inhibitor	[1]
Estrogen receptor beta (ESR2)	TTOM3J0	ESR2_HUMAN	Inhibitor	[1]

References

• [1] Influence of alkyl chain ramification on estradiol receptor binding affinity and intrinsic activity of 1,2-dialkylated 1,2-bis(4- or 3-hydroxypheny... J Med Chem. 1986 Sep;29(9):1668-74.
• [2] Differential biochemical and cellular actions of Premarin estrogens: distinct pharmacology of bazedoxifene-conjugated estrogens combination. Mol Endocrinol. 2009 Jan;23(1):74-85.
• [3] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [4] Benzothiophene selective estrogen receptor modulators with modulated oxidative activity and receptor affinity. J Med Chem. 2007 May 31;50(11):2682-92.
• [5] Estrogen inhibits the vascular injury response in estrogen receptor beta-deficient female mice. Proc Natl Acad Sci U S A. 1999 Dec 21;96(26):15133-6.
• [6] MF101, a selective estrogen receptor beta modulator for the treatment of menopausal hot flushes: a phase II clinical trial. Menopause. 2009 May-Jun;16(3):458-65.
• [7] Company report (Axcentua)
• [8] S-equol, a potent ligand for estrogen receptor beta, is the exclusive enantiomeric form of the soy isoflavone metabolite produced by human intestinal bacterial flora. Am J Clin Nutr. 2005 May;81(5):1072-9.
• [9] Erb-041, an estrogen receptor-beta agonist, inhibits skin photocarcinogenesis in SKH-1 hairless mice by downregulating the WNT signaling pathway. Cancer Prev Res (Phila). 2014 Feb;7(2):186-98.
• [10] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800031986)
• [11] Update on alternative therapies for vulvovaginal atrophy. Patient Prefer Adherence. 2011; 5: 533-536.
• [12] 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.
• [13] Reprint of Are all estrogens the same Maturitas. 2008 Sep-Oct;61(1-2):195-201.
• [14] 17alpha-Ethinylestradiol hinders nucleotide excision repair in zebrafish liver cells. Aquat Toxicol. 2009 Dec 13;95(4):273-8.
• [15] 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).
• [16] Clinical pipeline report, company report or official report of Shionogi (2011).
• [17] 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.