Drug Information

Drug General Information
Drug ID
D01NTN
Former ID
DNC005483
Drug Name
3-(3,5-Dibromo-4-hexyloxy-phenyl)-propionic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527532]
Structure
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2D MOL

3D MOL
Formula
C15H20Br2O3
Canonical SMILES
CCCCCCOC1=C(C=C(C=C1Br)CCC(=O)O)Br
InChI
1S/C15H20Br2O3/c1-2-3-4-5-8-20-15-12(16)9-11(10-13(15)17)6-7-14(18)19/h9-10H,2-8H2,1H3,(H,18,19)
InChIKey
FVDRTJXVCUAOCA-UHFFFAOYSA-N
PubChem Compound ID
11350323
Target and Pathway
Target(s) Thyroid hormone receptor alpha Target Info Inhibitor [527532]
Thyroid hormone receptor beta-1 Target Info Inhibitor [527532]
KEGG Pathway Neuroactive ligand-receptor interaction
Thyroid hormone signaling pathwayhsa04080:Neuroactive ligand-receptor interaction
Thyroid hormone signaling pathway
Pathway Interaction Database RXR and RAR heterodimerization with other nuclear receptorrxr_vdr_pathway:RXR and RAR heterodimerization with other nuclear receptor
Reactome Nuclear Receptor transcription pathwayR-HSA-383280:Nuclear Receptor transcription pathway
WikiPathways Endochondral Ossification
Nuclear ReceptorsWP706: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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