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

General Information of Drug (ID: DM4URMA)

• Drug Name: R,R-THC Drug Info
• Synonyms: (R,R)-THC; 138090-06-9; (R,R)-cis-Diethyl tetrahydro-2,8-chrysenediol; R,R-THC; CHEMBL282489; 221368-54-3; (5R,11R)-5,11-diethyl-5,6,11,12-tetrahydrochrysene-2,8-diol; (R,R)-5,11-DIETHYL-5,6,11,12-TETRAHYDRO-2,8-CHRYSENEDIOL; (R,R)-cis-Diethyltetrahydro-2,8-chrysenediol; (R,R)-5,11-CIS-DIETHYL-5,6,11,12-TETRAHYDROCHRYSENE-2,8-DIOL; Lopac-D-8690; AC1L9K5Y; Lopac0_000463; MLS002153151; BIDD:ER0043; GTPL2822; DTXSID6040749; SCHEMBL13352540; CTK4E8744; MolPort-003-941-174; HMS3268D03; HMS3261M08; HMS2232C18; ZINC3940885; Tox21_500463

Indication

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

• Cross-matching ID:
  PubChem CID: 446849
  CAS Number: CAS 221368-54-3
  TTD Drug ID: DM4URMA

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	[4]
Trilostane	DMQZ9GF	Cushing disease	5A70	Approved	[5]
ARZOXIFENE	DMOKCVI	Breast cancer	2C60-2C65	Approved	[6]
Estrogen	DMGY0UT	Menopause symptom	GA30.0	Approved	[7]
MF-101	DM8Z0I3	Hepatitis virus infection	1E50-1E51	Phase 3	[8]
Genistein	DM0JETC	Menopause symptom	GA30.0	Phase 2/3	[9]
AUS-131	DMUXO3Z	Hot flushes	GA30	Phase 2	[10]
ERB-041	DMCEPUA	Inflammatory bowel disease	DD72	Phase 2	[11]
Erteberel	DMU1XZD	Prostate hyperplasia	GA90	Phase 2	[12]
VG-101	DMAN21O	Menopause symptom	GA30.0	Phase 1/2	[13]

Drug(s) Targeting Estrogen receptor (ESR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[14]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[15]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[15]
Estradiol Valerate	DM8MC6O	Hormone replacement therapy	8E01	Approved	[5]
Estradiol Acetate	DM07U2A	Hormone replacement therapy	8E01	Approved	[5]
Estradiol Cypionate	DM27Z5T	Hormone replacement therapy	8E01	Approved	[5]
Ethinyl Estradiol	DMODJ40	Acne vulgaris	ED80	Approved	[16]
Raloxifene	DMDKF3M	Osteoporosis	FB83.0	Approved	[17]
Ospemifene	DMC4GEI	Dyspareunia	GA12	Approved	[18]
Toremifene	DMQYUWG	Breast cancer	2C60-2C65	Approved	[19]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Agonist	[2]
Estrogen receptor beta (ESR2)	TTOM3J0	ESR2_HUMAN	Antagonist	[3]

References

• [1] 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. (Ligand id: 2822).
• [2] Novel ligands that function as selective estrogens or antiestrogens for estrogen receptor-alpha or estrogen receptor-beta. Endocrinology. 1999 Feb;140(2):800-4.
• [3] Estrogen receptor subtype-selective ligands: asymmetric synthesis and biological evaluation of cis- and trans-5,11-dialkyl- 5,6,11, 12-tetrahydrochrysenes. J Med Chem. 1999 Jul 1;42(13):2456-68.
• [4] Differential biochemical and cellular actions of Premarin estrogens: distinct pharmacology of bazedoxifene-conjugated estrogens combination. Mol Endocrinol. 2009 Jan;23(1):74-85.
• [5] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [6] Benzothiophene selective estrogen receptor modulators with modulated oxidative activity and receptor affinity. J Med Chem. 2007 May 31;50(11):2682-92.
• [7] 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.
• [8] 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.
• [9] Company report (Axcentua)
• [10] 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.
• [11] 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.
• [12] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800031986)
• [13] Update on alternative therapies for vulvovaginal atrophy. Patient Prefer Adherence. 2011; 5: 533-536.
• [14] 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.
• [15] Reprint of Are all estrogens the same Maturitas. 2008 Sep-Oct;61(1-2):195-201.
• [16] 17alpha-Ethinylestradiol hinders nucleotide excision repair in zebrafish liver cells. Aquat Toxicol. 2009 Dec 13;95(4):273-8.
• [17] 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).
• [18] Clinical pipeline report, company report or official report of Shionogi (2011).
• [19] 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.