Drug General Information
Drug ID
D0C4FT
Former ID
DNC012734
Drug Name
HEXESTROL
Drug Type
Small molecular drug
Indication Irregularities [ICD10:N92.6] Withdrawn from market [533402], [534328], [539866]
Structure
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2D MOL

3D MOL

Formula
C18H22O2
InChI
InChI=1S/C18H22O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-20H,3-4H2,1-2H3
InChIKey
PBBGSZCBWVPOOL-UHFFFAOYSA-N
PubChem Compound ID
PubChem Substance ID
Target and Pathway
Target(s) Estrogen receptor Target Info Inhibitor [551316]
Estrogen receptor beta Target Info Inhibitor [551316]
KEGG Pathway Estrogen signaling pathway
Prolactin signaling pathway
Thyroid hormone signaling pathway
Endocrine and other factor-regulated calcium reabsorption
Proteoglycans in cancerhsa04915:Estrogen signaling pathway
NetPath Pathway FSH Signaling Pathway
EGFR1 Signaling Pathway
RANKL Signaling Pathway
Pathway Interaction Database Regulation of nuclear SMAD2/3 signaling
Signaling events mediated by HDAC Class II
Plasma membrane estrogen receptor signaling
LKB1 signaling events
Regulation of Telomerase
ATF-2 transcription factor network
AP-1 transcription factor network
FOXM1 transcription factor network
Validated nuclear estrogen receptor alpha network
Signaling mediated by p38-alpha and p38-beta
FOXA1 transcription factor networker_nongenomic_pathway:Plasma membrane estrogen receptor signaling
Validated nuclear estrogen receptor beta network
Reactome Nuclear signaling by ERBB4
Nuclear Receptor transcription pathwayR-HSA-383280:Nuclear Receptor transcription pathway
WikiPathways Estrogen signaling pathway
Nuclear Receptors Meta-Pathway
Estrogen Receptor Pathway
Signaling by ERBB4
JAK/STAT
Integrated Pancreatic Cancer Pathway
Leptin signaling pathway
miR-targeted genes in muscle cell - TarBase
Integrated Breast Cancer Pathway
Nuclear ReceptorsWP706:SIDS Susceptibility Pathways
Ovarian Infertility Genes
Nuclear Receptors
References
Ref 533402Carcinogenicity and metabolic activation of hexestrol. Chem Biol Interact. 1985 Oct;55(1-2):157-76.
Ref 534328Comparison of the ligand binding specificity and transcript tissue distribution of estrogen receptors alpha and beta. Endocrinology. 1997 Mar;138(3):863-70.
Ref 539866(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: 2823).
Ref 551316Bone targeted drugs 2. synthesis of estrogens with hydroxyapatite affinity, Bioorg. Med. Chem. Lett. 6(9):1047-1050 (1996).

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