Drug Information

Drug General Information
Drug ID
D05ZJC
Former ID
DNC005480
Drug Name
(3,5-Dibromo-4-butoxy-phenyl)-acetic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527532]
Structure
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2D MOL

3D MOL
Formula
C12H14Br2O3
Canonical SMILES
CCCCOC1=C(C=C(C=C1Br)CC(=O)O)Br
InChI
1S/C12H14Br2O3/c1-2-3-4-17-12-9(13)5-8(6-10(12)14)7-11(15)16/h5-6H,2-4,7H2,1H3,(H,15,16)
InChIKey
PDWWLSBHJFKDFA-UHFFFAOYSA-N
PubChem Compound ID
9925361
Target and Pathway
Target(s) Thyroid hormone receptor beta-1 Target Info Inhibitor [527532]
KEGG Pathway Neuroactive ligand-receptor interaction
Thyroid hormone signaling pathway
Pathway Interaction Database RXR and RAR heterodimerization with other nuclear receptor
Reactome Nuclear Receptor transcription pathway
WikiPathways SIDS Susceptibility Pathways
Hematopoietic Stem Cell Differentiation
Nuclear Receptors
References
Ref 527532J Med Chem. 2005 May 5;48(9):3114-7.Thyroid receptor ligands. 3. Design and synthesis of 3,5-dihalo-4-alkoxyphenylalkanoic acids as indirect antagonists of the thyroid hormone receptor.
Ref 527532J Med Chem. 2005 May 5;48(9):3114-7.Thyroid receptor ligands. 3. Design and synthesis of 3,5-dihalo-4-alkoxyphenylalkanoic acids as indirect antagonists of the thyroid hormone receptor.

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