Natural Product (NP) Details

General Information of the NP (ID: NP0580)
Name
17-beta-Estradiol
Species Origin Homo sapiens ...     Click to Show/Hide
Homo sapiens
Kingdom: Metazoa
Phylum: Chordata
Class: Mammalia
Order: Primates
Family: Hominidae
Genus: Homo
Species: Homo sapiens
Disease Atrophic vaginitis [ICD-11: GA30] Approved [1]
ADMET Property
Absporption
Caco-2 Permeability
 -4.876
 
MDCK Permeability
 -4.747
 
PAMPA
 -
 
HIA
 - - -
 
Distribution
VDss
 0.017
 
PPB
 86.6%
 
BBB
 +++
 
Metabolism
CYP1A2 inhibitor
 - -
CYP1A2 substrate
 +++
CYP2C19 inhibitor
 - - -
CYP2C19 substrate
 +++
CYP2C9 inhibitor
 - -
CYP2C9 substrate
 +++
CYP2D6 inhibitor
 - - -
CYP2D6 substrate
 ++
CYP3A4 inhibitor
 - - -
CYP3A4 substrate
 - - -
CYP2B6 inhibitor
 ++
CYP2B6 substrate
 +++
CYP2C8 inhibitor
 +++
HLM Stability
 +++
 
Excretion
CLplasma
 12.024
 
T1/2
 1.686
Toxicity
DILI
 - -
 
Rat Oral Acute Toxicity
 +
 
FDAMDD
 ++
 
Respiratory
 +++
 
Human Hepatotoxicity
 ++
 
Ototoxicity
 -
 
Drug-induced Nephrotoxicity
 - -
 
Drug-induced Neurotoxicity
 - -
 
Hematotoxicity
 -
 
Genotoxicity
 +
 
Tips: 1. For the classification endpoints, the prediction probability values are transformed into six symbols: 0-0.1 (- - -), 0.1-0.3 (- -), 0.3-0.5 (-), 0.5-0.7 (+), 0.7-0.9 (++), and 0.9-1.0 (+++). 2. Additionally, the corresponding relationships of the three labels are as follows: excellent; medium; poor.
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    Click to Show/Hide the Molecular Information and External Link(s) of This Natural Product
PubChem CID
5757
Herb ID
HBIN001991
SymMap ID
SMIT11883
TCMSP ID
MOL010919
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Drug(s) Whose Efficacy can be Enhanced by This NP
          Methotrexate      Leukaemia     Click to Show/Hide the Molecular Data of This Drug
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    In-vitro Model MDA-MB-436 CVCL_0623 Invasive breast carcinoma Homo sapiens
MCF-7 CVCL_0031 Invasive breast carcinoma Homo sapiens
                    Experimental
                    Result(s)		 17-beta-oestradiol partially reversed the anti-proliferative effects of MTX in the MDA-MB-436 line and potentiated growth inhibition in the E2 responsive cells.
Target and Pathway
Target(s) Angiotensin 1-10 (NAT1)  Molecule Info  [3]
ATP-binding cassette A1 (ABCA1)  Molecule Info  [4]
KEGG Pathway ABC transporters Click to Show/Hide
2 Fat digestion and absorption
NetPath Pathway Leptin Signaling Pathway Click to Show/Hide
Pathway Interaction Database RXR and RAR heterodimerization with other nuclear receptor Click to Show/Hide
Reactome HDL-mediated lipid transport Click to Show/Hide
2 PPARA activates gene expression
WikiPathways Statin Pathway Click to Show/Hide
2 Nuclear Receptors in Lipid Metabolism and Toxicity
3 Regulation of Lipid Metabolism by Peroxisome proliferator-activated receptor alpha (PPARalpha)
4 Lipid digestion, mobilization, and transport
5 SREBF and miR33 in cholesterol and lipid homeostasis
6 Folate Metabolism
7 Vitamin B12 Metabolism
8 Selenium Micronutrient Network
References
Reference 1 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2005
Reference 2 Oestrogen receptor status and the response of human breast cancer cell lines to a combination of methotrexate and 17-beta oestradiol. Br J Cancer. 1985 Mar;51(3):365-9.
Reference 3 High N-Acetyltransferase 1 Expression Is Associated with Estrogen Receptor Expression in Breast Tumors, but Is not Under Direct Regulation by Estradiol, 5Alpha-androstane-3Beta,17Beta-Diol, or Dihydrotestosterone in Breast Cancer Cells. J Pharmacol Exp Ther. 2018 Apr;365(1):84-93.
Reference 4 17{beta}-Estradiol modulates the macrophage migration inhibitory factor secretory pathway by regulating ABCA1 expression in human first-trimester placenta. Am J Physiol Endocrinol Metab. 2010 Mar;298(3):E411-8.
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