Drug Information

Drug General Information
Drug ID
D08WDN
Former ID
DNC005241
Drug Name
4-Benzo[d]isoxazol-3-yl-benzene-1,3-diol
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527232]
Structure
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2D MOL

3D MOL
Formula
C13H9NO3
Canonical SMILES
C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3O)NO2
InChI
1S/C13H9NO3/c15-8-5-6-9(11(16)7-8)13-10-3-1-2-4-12(10)17-14-13/h1-7,14,16H/b13-9-
InChIKey
MGAJAIDFQVSRTQ-LCYFTJDESA-N
PubChem Compound ID
11276222
Target and Pathway
Target(s) Estrogen receptor Target Info Inhibitor [527232]
Estrogen receptor beta Target Info Inhibitor [527232]
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 527232J Med Chem. 2004 Oct 7;47(21):5021-40.Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.
Ref 527232J Med Chem. 2004 Oct 7;47(21):5021-40.Design and synthesis of aryl diphenolic azoles as potent and selective estrogen receptor-beta ligands.

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