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
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 370.4
Logarithm of the Partition Coefficient 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
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

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]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Angiotensin-converting enzyme (ACE) OTDF1964 ACE_HUMAN Gene/Protein Processing [3]
C-C motif chemokine 2 (CCL2) OTAD2HEL CCL2_HUMAN Gene/Protein Processing [4]
C-reactive protein (CRP) OT0RFT8F CRP_HUMAN Gene/Protein Processing [5]
Coagulation factor VII (F7) OTGNJ97M FA7_HUMAN Gene/Protein Processing [6]
Follitropin subunit beta (FSHB) OTGLS283 FSHB_HUMAN Gene/Protein Processing [7]
Insulin-like growth factor I (IGF1) OTIIZR61 IGF1_HUMAN Gene/Protein Processing [7]
Insulin-like growth factor-binding protein 3 (IGFBP3) OTIX63TX IBP3_HUMAN Gene/Protein Processing [7]
Insulin-like growth factor-binding protein complex acid labile subunit (IGFALS) OTTWCZYM ALS_HUMAN Gene/Protein Processing [7]
Lutropin subunit beta (LHB) OT5GBOVJ LSHB_HUMAN Gene/Protein Processing [7]
Plasminogen activator inhibitor 1 (SERPINE1) OTT0MPQ3 PAI1_HUMAN Gene/Protein Processing [6]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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
⏷ Show the Full List of 12 Pharmaceutical Excipients of This Drug
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 Relationship between the angiotensin-converting enzyme genotype and the forearm vasodilator response to estrogen replacement therapy in postmenopausal women. J Am Coll Cardiol. 2001 May;37(6):1529-35. doi: 10.1016/s0735-1097(01)01191-3.
4 Circulating chemoattractants RANTES, negatively related to endogenous androgens, and MCP-1 are differentially suppressed by hormone therapy and raloxifene. Atherosclerosis. 2007 Jul;193(1):142-50. doi: 10.1016/j.atherosclerosis.2006.05.045. Epub 2006 Jul 13.
5 Effects of estrogen, raloxifene, and hormone replacement therapy on serum C-reactive protein and homocysteine levels. Maturitas. 2006 Feb 20;53(3):252-9. doi: 10.1016/j.maturitas.2005.05.006. Epub 2005 Jun 28.
6 Short-term effects of estrogen, tamoxifen and raloxifene on hemostasis: a randomized-controlled study and review of the literature. Thromb Res. 2005;116(1):1-13. doi: 10.1016/j.thromres.2004.09.014.
7 Estrogens exert route- and dose-dependent effects on insulin-like growth factor (IGF)-binding protein-3 and the acid-labile subunit of the IGF ternary complex. J Clin Endocrinol Metab. 2000 May;85(5):1918-22. doi: 10.1210/jcem.85.5.6527.