Drug Information

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Indication Irregularities [ICD10:N92.6] Withdrawn from market [533402], [534328], [539866]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
3606
PubChem Substance ID
132444, 585165, 4911068, 7848704, 8149594, 8152274, 10321181, 11335618, 11360857, 11363381, 11365943, 11368505, 11371839, 11374082, 11376667, 11461829, 11466727, 11467847, 11484438, 11486514, 11488707, 11490376, 11492207, 11494301, 15021416, 24870032, 24895805, 26611989, 26679915, 26748324, 26748325, 26748326, 29222732, 47515262, 47515263, 47736417, 47959676, 47959677, 47959678, 48035049, 48334431, 49698746, 50005371, 50064915, 50107374, 50107375, 53789301, 56463535, 57321892, 57650765
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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