Details of the Drug

General Information of Drug (ID: DMXQS7K)

• Drug Name: Cenestin
• Synonyms: Sodium equilin sulfate; Equilin sodium sulfate; Climopax; Estratab; 16680-47-0; Sodium equilin 3-monosulfate; Emopremarin; Novoconestron; Climestrone; Promarit; Primarin; Premarose; Premaril; Menotrol; Ganeake; Estropan; Estrifol; Premarina; Palopause; Menogen; Mannest; Hyphorin; Formatrix; Estromed; Equigyne; Prempak; Oestrilin; Menotab; Kestrin; Glyestrin; Estroate; Equilin 3-Sulfate Sodium Salt; Conjugen; Conestron; Ayerogen; Theogen; Sukingpo

Indication

Disease Entry	ICD 11	Status	REF
Menopause symptom	GA30.0	Approved	[1]
Osteoporosis	FB83.0	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 370.4
  Topological Polar Surface Area; Not Available
  Rotatable Bond Count; 2
  Hydrogen Bond Donor Count; 0
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C18H19NaO5S
  IUPAC Name: sodium;[(9S,13S,14S)-13-methyl-17-oxo-9,11,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-yl] sulfate
  Canonical SMILES: C[C@]12CC[C@H]3C(=CCC4=C3C=CC(=C4)OS(=O)(=O)[O-])[C@@H]1CCC2=O.[Na+]
  InChI: InChI=1S/C18H20O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3-5,10,14,16H,2,6-9H2,1H3,(H,20,21,22);/q;+1/p-1/t14-,16+,18+;/m1./s1
  InChIKey: QTTMOCOWZLSYSV-QWAPEVOJSA-M
• Cross-matching ID:
  PubChem CID: 23676225
  ChEBI ID: CHEBI:32143
  CAS Number: 12126-59-9
  TTD ID: D0N6YV
  ACDINA ID: D00248

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], [1], [3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Menopause symptom
• ICD Disease Classification: GA30.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Estrogen receptor (ESR)	DTT	ESR1	2.05E-08	-0.08	-0.31

Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Allura red AC dye	E00338	33258	Colorant
D&C red no. 30	E00456	3000709	Colorant
FD&C blue no. 2	E00446	2723854	Colorant
Quinoline yellow WS	E00309	24671	Colorant
Sunset yellow FCF	E00255	17730	Colorant
Ferrosoferric oxide	E00231	14789	Colorant
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Lithol rubin BCA	E00607	135423095	Colorant
Magnesium stearate	E00208	11177	lubricant
Polyethylene glycol 400	E00653	Not Available	Coating agent; Diluent; Ointment base; Plasticizing agent; Solvent; Suppository base; lubricant
Saccharose	E00091	5988	Binding agent; Coating agent; Cryoprotectant; Diluent; Flavoring agent; Suspending agent; Viscosity-controlling agent
Titanium dioxide	E00322	26042	Coating agent; Colorant; Opacifying agent

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Conjugated estrogen 1.25 mg tablet	1.25 mg	Oral Tablet	Oral
Conjugated estrogen 0.3 mg tablet	0.3 mg	Oral Tablet	Oral
Conjugated estrogen 0.625 mg tablet	0.625 mg	Oral Tablet	Oral
Conjugated estrogen 0.9 mg tablet	0.9 mg	Oral Tablet	Oral
Conjugated estrogen 0.45 mg tablet	0.45 mg	Oral Tablet	Oral

Jump to Detail Pharmaceutical Formulation Page of This Drug

References

• [1] Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015
• [2] Estrogen replacement therapy and cardioprotection: mechanisms and controversies. Braz J Med Biol Res. 2002 Mar;35(3):271-6.
• [3] Low-dose esterified estrogen therapy: effects on bone, plasma estradiol concentrations, endometrium, and lipid levels. Estratab/Osteoporosis Study Group. Arch Intern Med. 1997 Dec 8-22;157(22):2609-15.
• [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.