Details of the Drug

General Information of Drug (ID: DMRMDWA)

• Drug Name: Estropipate
• Synonyms: Estropipate; 7280-37-7; Piperazine estrone sulfate; Harmogen; Ogen; Ortho-Est; UNII-SVI38UY019; Piperazine estronesulfate; Sulestrex; SVI38UY019; Estra-1,3,5(10)-trien-17-one, 3-(sulfooxy)-, compd. with piperazine (1:1); OGEN 2.5; Estropipate (USP); OGEN 5; Ogen (TN); OGEN .625; OGEN 1.25; EINECS 230-696-3; piperazine (8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl sulfate; Piperazine oestrone sulphate; Conjugated estrogens: piperazine estrone sulfate; Estrone hydrogen sulf

Indication

Disease Entry	ICD 11	Status	REF
Hypogonadism	5A61.0	Approved	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight; 436.6
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 2
  Hydrogen Bond Donor Count; 3
  Hydrogen Bond Acceptor Count; 7
• Chemical Identifiers:
  Formula: C22H32N2O5S
  IUPAC Name: [(8R,9S,13S,14S)-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate;piperazine
  Canonical SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O.C1CNCCN1
  InChI: InChI=1S/C18H22O5S.C4H10N2/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;1-2-6-4-3-5-1/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);5-6H,1-4H2/t14-,15-,16+,18+;/m1./s1
  InChIKey: HZEQBCVBILBTEP-ZFINNJDLSA-N
• Cross-matching ID:
  PubChem CID: 5284555
  ChEBI ID: CHEMBL4873
  CAS Number: 7280-37-7
  TTD ID: D03IUY
  INTEDE ID: DR0651
  ACDINA ID: D00249
• Drug Pharmacogenomic Perturbation (DPP)NEW: Click to Jump to the Detailed DPP Information of This Drug
• Drug ADMET Endpoint Profile (DAE)NEW: Click to Jump to the Detailed DAE 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	Modulator	[2]

Drug-Metabolizing Enzyme (DME)

DME Name	DME ID	UniProt ID	MOA	REF
Cytochrome P450 3A4 (CYP3A4) Main DME	DE4LYSA	CP3A4_HUMAN	Substrate	[3]

Molecular Expression Atlas of This Drug

• The Studied Disease: Hypogonadism
• ICD Disease Classification: 5A61.0

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Cytochrome P450 3A4 (CYP3A4)	DME	CYP3A4	9.85E-01	2.24E-02	7.33E-02

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

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
FD&C blue no. 2	E00446	2723854	Colorant
Quinoline yellow WS	E00309	24671	Colorant
Sunset yellow FCF	E00255	17730	Colorant
Beta-D-lactose	E00099	6134	Diluent; Dry powder inhaler carrier; Lyophilization aid
Crospovidone	E00626	Not Available	Disintegrant
Lactose monohydrate	E00393	104938	Binding agent; Diluent; Dry powder inhaler carrier; Lyophilization aid
Magnesium stearate	E00208	11177	lubricant
Piperazine	E00073	4837	Other agent
Silicon dioxide	E00670	Not Available	Anticaking agent; Opacifying agent; Viscosity-controlling agent
Talc	E00520	16211421	Anticaking agent; Diluent; Glidant; lubricant

Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Estropipate 0.75 mg tablet	0.75 mg	Oral Tablet	Oral
Estropipate 1.5 mg tablet	1.5 mg	Oral Tablet	Oral
Estropipate 3 mg tablet	3 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] US patent application no. 5,004,651, Stabilizing system for solid dosage forms.
• [3] Estrogen regulation of the cytochrome P450 3A subfamily in humans. J Pharmacol Exp Ther. 2004 Nov;311(2):728-35.