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

General Information of Drug (ID: DMW6YLS)

• Drug Name: Deoxycorticosterone Drug Info
• Synonyms: 11-deoxycorticosterone; 21-hydroxyprogesterone

Indication

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

• Cross-matching ID:
  PubChem CID: 6166
  ChEBI ID: CHEBI:16973
  CAS Number: CAS 64-85-7
  TTD Drug ID: DMW6YLS
  INTEDE Drug ID: DR0442

Molecule-Related Drug Atlas

Drug(s) Metabolized By Steroid 11-beta-hydroxylase (CYP11B1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Aldosterone	DM9S2JW	Hypertension	BA00-BA04	Approved	[6]
Hydrocortisone	DMGEMB7	Inflammation	1A00-CA43.1	Approved	[7]

Drug(s) Metabolized By Aldosterone synthase (CYP11B2)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Aldosterone	DM9S2JW	Hypertension	BA00-BA04	Approved	[8]
Hydrocortisone	DMGEMB7	Inflammation	1A00-CA43.1	Approved	[7]

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

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
CORT125281	DMHBOUX	Prostate cancer	2C82.0	Phase 2	[9]
VBP15	DM047HI	Duchenne dystrophy	8C70	Phase 2	[10]
ISIS-GCCR	DMICMNU	Diabetic complication	5A2Y	Phase 2	[11]
ORIC-101	DMR12S0	Solid tumour/cancer	2A00-2F9Z	Phase 1	[9]
AZD9567	DMAXHC0	Rheumatoid arthritis	FA20	Phase 1	[10]
A-348441	DM25CBW	Type-2 diabetes	5A11	Phase 1	[12]
4-(4-butylpiperidin-1-yl)-1-o-tolylbutan-1-one	DMM9X0G	Discovery agent	N.A.	Investigative	[13]
(11-BETA)-11,21-DIHYDROXY-PREGN-4-ENE-3,20-DIONE	DMTPQ84	Discovery agent	N.A.	Investigative	[2]
LGD-5552	DM67KWM	Discovery agent	N.A.	Investigative	[14]
AL-43	DMLEDHR	Discovery agent	N.A.	Investigative	[15]

Drug(s) Targeting Mineralocorticoid receptor (MR)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
Aldosterone	DM9S2JW	Hypertension	BA00-BA04	Approved	[16]
Eplerenone	DMF0NQR	Heart failure	BD10-BD13	Approved	[17]
Fludrocortisone	DMUDIR8	Cerebral salt-wasting syndrome	5C72	Approved	[18]
Desoxycorticosterone acetate	DMS0AFE	Discovery agent	N.A.	Approved	[17]
Desoxycorticosterone pivalate	DMSA4B3	Addison disease	5A74.0	Approved	[19]
Drospirenone	DM1A9W3	Contraception	QA21	Approved	[20]
Spironolactone	DM2AQ5N	Congestive heart failure	BD10	Approved	[17]
Finerenone	DMM4FJ3	Diabetic nephropathy	GB61.Z	Phase 3	[21]
ZK-91587	DMJ94L0	Cardiovascular disease	BA00-BE2Z	Phase 2	[22]
Nerenone	DMBJ3GL	Diabetic nephropathy	GB61.Z	Phase 2	[23]

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Glucocorticoid receptor messenger RNA (GCR mRNA)	TTOZRK6	GCR_HUMAN	Agonist	[2]
Mineralocorticoid receptor (MR)	TT26PHO	MCR_HUMAN	Agonist	[3]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Steroid 11-beta-hydroxylase (CYP11B1)	DEPE0RD	C11B1_HUMAN	Substrate	[4]
Aldosterone synthase (CYP11B2)	DE6TYUK	C11B2_HUMAN	Substrate	[5]

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: 2871).
• [2] 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.
• [3] Pharmacological and functional characterization of human mineralocorticoid and glucocorticoid receptor ligands. Eur J Pharmacol. 1993 Oct 15;247(2):145-54.
• [4] Summary of information on human CYP enzymes: human P450 metabolism data. Drug Metab Rev. 2002 Feb-May;34(1-2):83-448.
• [5] Functional expression of human mitochondrial CYP11B2 in fission yeast and identification of a new internal electron transfer protein, etp1. Biochemistry. 2002 Feb 19;41(7):2311-21.
• [6] Quantitative assessment of CYP11B1 and CYP11B2 expression in aldosterone-producing adenomas. Eur J Endocrinol. 2002 Dec;147(6):795-802.
• [7] Studies on the origin of circulating 18-hydroxycortisol and 18-oxocortisol in normal human subjects. J Clin Endocrinol Metab. 2004 Sep;89(9):4628-33.
• [8] Heteroaryl-substituted naphthalenes and structurally modified derivatives: selective inhibitors of CYP11B2 for the treatment of congestive heart failure and myocardial fibrosis. J Med Chem. 2005 Oct 20;48(21):6632-42.
• [9] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [10] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [11] Clinical pipeline report, company report or official report of ISIS Pharmaceuticals (2011).
• [12] Synthesis and activity of novel bile-acid conjugated glucocorticoid receptor antagonists. Bioorg Med Chem Lett. 2006 Dec 1;16(23):6086-90.
• [13] 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.
• [14] 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.
• [15] Differentiation of in vitro transcriptional repression and activation profiles of selective glucocorticoid modulators. Bioorg Med Chem Lett. 2004 Apr 5;14(7):1721-7.
• [16] Stimulation of testosterone production in rat Leydig cells by aldosterone is mineralocorticoid receptor mediated. Mol Cell Endocrinol. 2005 Nov 24;243(1-2):35-42.
• [17] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.
• [18] Mineralocorticoid receptor-mediated inhibition of the hypothalamic-pituitary-adrenal axis in aged humans. J Gerontol A Biol Sci Med Sci. 2003 Oct;58(10):B900-5.
• [19] Characterization of rat brain aldosterone receptors reveals high affinity for corticosterone. Endocrinology. 1983 Dec;113(6):2043-51.
• [20] Biochemical mechanisms of New Molecular Entities (NMEs) approved by United States FDA during 2001-2004: mechanisms leading to optimal efficacy and ... Curr Top Med Chem. 2006;6(5):461-78.
• [21] Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
• [22] ZK91587: a novel synthetic antimineralocorticoid displays high affinity for corticosterone (type I) receptors in the rat hippocampus. Life Sci. 1988;43(19):1537-43.
• [23] 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: 626).