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

General Information of Drug (ID: DMDPH3W)

• Drug Name: CP-394531 Drug Info
• Synonyms: CP-394531; UNII-227D9ED2SI; CHEMBL77779; 227D9ED2SI; 305822-63-3; SCHEMBL3111189; BDBM50113783; 2,7-Phenanthrenediol, 2-(chloroethynyl)-1,2,3,4,4a,9,10,10a-octahydro-4a-(phenylmethyl)-, (2R,4aS,10aR)-; 2,7-Phenanthrenediol, 2-(2-chloroethynyl)-1,2,3,4,4a,9,10,10a-octahydro-4a-(phenylmethyl)-, (2R,4aS,10aR)-; 4a-Benzyl-2-chloroethynyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene-2,7-diol(CP-394531)

Indication

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

• Cross-matching ID:
  PubChem CID: 9820558
  CAS Number: CAS 305822-63-3
  TTD Drug ID: DMDPH3W

Molecule-Related Drug Atlas

Drug(s) Targeting Glucocorticoid receptor messenger RNA (GCR mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Vamorolone	DM047HI	Duchenne muscular dystrophy	8C70.1	Approved	[3]
CORT125281	DMHBOUX	Prostate cancer	2C82.0	Phase 2	[4]
ISIS-GCCR	DMICMNU	Diabetic complication	5A2Y	Phase 2	[5]
ORIC-101	DMR12S0	Solid tumour/cancer	2A00-2F9Z	Phase 1	[4]
AZD9567	DMAXHC0	Rheumatoid arthritis	FA20	Phase 1	[3]
A-348441	DM25CBW	Type-2 diabetes	5A11	Phase 1	[6]
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one	DMM9X0G	Discovery agent	N.A.	Investigative	[7]
(11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE	DMTPQ84	Discovery agent	N.A.	Investigative	[8]
deoxycorticosterone	DMW6YLS	Discovery agent	N.A.	Investigative	[8]
LGD-5552	DM67KWM	Discovery agent	N.A.	Investigative	[9]

Drug(s) Targeting Androgen receptor messenger RNA (AR mRNA)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Dihydrotestosterone	DM3S8XC	Prostate hyperplasia	GA90	Phase 4	[10]
BAY 86-5044	DMRZLU4	Breast cancer	2C60-2C65	Phase 2	[11]
TRC-253	DMXI8CD	Prostate cancer	2C82.0	Phase 1/2	[4]
IONIS-AR-2.5Rx	DMF2DMS	Prostate cancer	2C82.0	Phase 1/2	[12]
ISIS-AR	DM8P3N5	Prostate cancer	2C82.0	Phase 1	[13]
EZN-4176	DMNPS59	Prostate cancer	2C82.0	Phase 1	[14]
EUGENOL	DM7US1H	Discovery agent	N.A.	Patented	[15]
RU-58841	DMMEAZ2	Acne vulgaris	ED80	Discontinued in Phase 1	[16]
flavone	DMEQH6J	Discovery agent	N.A.	Investigative	[17]
APIGENIN	DMI3491	Discovery agent	N.A.	Investigative	[17]

Drug(s) Targeting Estrogen receptor beta (ESR2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Conjugated Estrogens	DMLT0E1	Dyspareunia	GA12	Approved	[18]
Trilostane	DMQZ9GF	Cushing disease	5A70	Approved	[19]
ARZOXIFENE	DMOKCVI	Breast cancer	2C60-2C65	Approved	[20]
Estrogen	DMGY0UT	Menopause symptom	GA30.0	Approved	[21]
MF-101	DM8Z0I3	Hepatitis virus infection	1E50-1E51	Phase 3	[22]
Genistein	DM0JETC	Menopause symptom	GA30.0	Phase 2/3	[23]
AUS-131	DMUXO3Z	Hot flushes	GA30	Phase 2	[24]
ERB-041	DMCEPUA	Inflammatory bowel disease	DD72	Phase 2	[25]
Erteberel	DMU1XZD	Prostate hyperplasia	GA90	Phase 2	[26]
VG-101	DMAN21O	Menopause symptom	GA30.0	Phase 1/2	[27]

Drug(s) Targeting Estrogen receptor (ESR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Tamoxifen	DMLB0EZ	Breast cancer	2C60-2C65	Approved	[28]
Estradiol	DMUNTE3	Acne vulgaris	ED80	Approved	[29]
Estrone	DM5T6US	Acne vulgaris	ED80	Approved	[29]
Estradiol Valerate	DM8MC6O	Hormone replacement therapy	8E01	Approved	[19]
Estradiol Acetate	DM07U2A	Hormone replacement therapy	8E01	Approved	[19]
Estradiol Cypionate	DM27Z5T	Hormone replacement therapy	8E01	Approved	[19]
Ethinyl Estradiol	DMODJ40	Acne vulgaris	ED80	Approved	[30]
Raloxifene	DMDKF3M	Osteoporosis	FB83.0	Approved	[31]
Ospemifene	DMC4GEI	Dyspareunia	GA12	Approved	[32]
Toremifene	DMQYUWG	Breast cancer	2C60-2C65	Approved	[33]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Androgen receptor messenger RNA (AR mRNA)	TTKPW01	ANDR_HUMAN	Inhibitor	[1]
Estrogen receptor (ESR)	TTZAYWL	ESR1_HUMAN	Inhibitor	[1]
Estrogen receptor beta (ESR2)	TTOM3J0	ESR2_HUMAN	Inhibitor	[1]
Glucocorticoid receptor messenger RNA (GCR mRNA)	TTOZRK6	GCR_HUMAN	Inhibitor	[2]

References

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• [2] Virtual screening for the identification of novel nonsteroidal glucocorticoid modulators. J Med Chem. 2010 Apr 22;53(8):3065-74.
• [3] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [4] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [5] Clinical pipeline report, company report or official report of ISIS Pharmaceuticals (2011).
• [6] Synthesis and activity of novel bile-acid conjugated glucocorticoid receptor antagonists. Bioorg Med Chem Lett. 2006 Dec 1;16(23):6086-90.
• [7] Discovery of N-{1-[3-(3-oxo-2,3-dihydrobenzo[1,4]oxazin-4-yl)propyl]piperidin-4-yl}-2-phenylacetamide (Lu AE51090): an allosteric muscarinic M1 rec... J Med Chem. 2010 Sep 9;53(17):6386-97.
• [8] Functional probing of the human glucocorticoid receptor steroid-interacting surface by site-directed mutagenesis. Gln-642 plays an important role in steroid recognition and binding. J Biol Chem. 2000Jun 23;275(25):19041-9.
• [9] Antiinflammatory glucocorticoid receptor ligand with reduced side effects exhibits an altered protein-protein interaction profile. Proc Natl Acad Sci U S A. 2007 Dec 4;104(49):19244-9.
• [10] 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: 628).
• [11] Synthesis and biological activity of a novel, highly potent progesterone receptor antagonist. J Med Chem. 2000 Dec 28;43(26):5010-6.
• [12] Perspectives on the current and emerging chemical androgen receptor antagonists for the treatment of prostate cancer. Expert Opin Pharmacother. 2019 Feb;20(2):163-172.
• [13] Clinical pipeline report, company report or official report of ISIS Pharmaceuticals.
• [14] 2011 Pipeline of Santaris Pharma.
• [15] Effect of essential oils, such as raspberry ketone and its derivatives, on antiandrogenic activity based on in vitro reporter gene assay. Bioorg Med Chem Lett. 2010 Apr 1;20(7):2111-4.
• [16] Rational design and synthesis of 4-((1R,2R)-2-hydroxycyclohexyl)-2(trifluoromethyl)benzonitrile (PF-998425), a novel, nonsteroidal androgen recepto... J Med Chem. 2008 Nov 13;51(21):7010-4.
• [17] Effect of flavonoids on androgen and glucocorticoid receptors based on in vitro reporter gene assay. Bioorg Med Chem Lett. 2009 Aug 15;19(16):4706-10.
• [18] Differential biochemical and cellular actions of Premarin estrogens: distinct pharmacology of bazedoxifene-conjugated estrogens combination. Mol Endocrinol. 2009 Jan;23(1):74-85.
• [19] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [20] Benzothiophene selective estrogen receptor modulators with modulated oxidative activity and receptor affinity. J Med Chem. 2007 May 31;50(11):2682-92.
• [21] 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.
• [22] 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.
• [23] Company report (Axcentua)
• [24] 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.
• [25] 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.
• [26] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800031986)
• [27] Update on alternative therapies for vulvovaginal atrophy. Patient Prefer Adherence. 2011; 5: 533-536.
• [28] 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.
• [29] Reprint of Are all estrogens the same Maturitas. 2008 Sep-Oct;61(1-2):195-201.
• [30] 17alpha-Ethinylestradiol hinders nucleotide excision repair in zebrafish liver cells. Aquat Toxicol. 2009 Dec 13;95(4):273-8.
• [31] 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).
• [32] Clinical pipeline report, company report or official report of Shionogi (2011).
• [33] 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.