Drug Information

Drug General Information
Drug ID
D02DML
Former ID
DNC005488
Drug Name
COUMESTROL
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527550]
Structure
Download
2D MOL

3D MOL
Formula
C15H8O5
Canonical SMILES
C1=CC2=C(C=C1O)OC3=C2C(=O)OC4=C3C=CC(=C4)O
InChI
1S/C15H8O5/c16-7-1-3-9-11(5-7)19-14-10-4-2-8(17)6-12(10)20-15(18)13(9)14/h1-6,16-17H
InChIKey
ZZIALNLLNHEQPJ-UHFFFAOYSA-N
PubChem Compound ID
5281707
Target and Pathway
Target(s) Estrogen receptor beta Target Info Inhibitor [527550]
Estrogen receptor Target Info Inhibitor [527550]
KEGG Pathway Estrogen signaling pathway
Prolactin signaling pathwayhsa04915:Estrogen signaling pathway
Prolactin signaling pathway
Thyroid hormone signaling pathway
Endocrine and other factor-regulated calcium reabsorption
Proteoglycans in cancer
NetPath Pathway FSH Signaling Pathway
EGFR1 Signaling Pathway
RANKL Signaling Pathway
Pathway Interaction Database Plasma membrane estrogen receptor signaling
Validated nuclear estrogen receptor beta network
Validated nuclear estrogen receptor alpha networksmad2_3nuclearpathway:Regulation of nuclear SMAD2/3 signaling
Signaling events mediated by HDAC Class II
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 network
Reactome Nuclear Receptor transcription pathwayR-HSA-1251985:Nuclear signaling by ERBB4
Nuclear Receptor transcription pathway
WikiPathways SIDS Susceptibility Pathways
Ovarian Infertility Genes
Integrated Pancreatic Cancer Pathway
Nuclear ReceptorsWP712:Estrogen signaling pathway
Nuclear Receptors Meta-Pathway
Estrogen Receptor Pathway
Signaling by ERBB4
JAK/STAT
Leptin signaling pathway
miR-targeted genes in muscle cell - TarBase
Integrated Breast Cancer Pathway
Nuclear Receptors
References
Ref 527550J Med Chem. 2005 May 19;48(10):3463-6.Structure-based virtual screening for plant-based ERbeta-selective ligands as potential preventative therapy against age-related neurodegenerative diseases.
Ref 527550J Med Chem. 2005 May 19;48(10):3463-6.Structure-based virtual screening for plant-based ERbeta-selective ligands as potential preventative therapy against age-related neurodegenerative diseases.

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