Drug Information

Drug General Information
Drug ID
D0J0MD
Former ID
DNC007844
Drug Name
(Z)-4-(4-hexylphenylamino)-4-oxobut-2-enoic acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529081]
Structure
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2D MOL

3D MOL
Formula
C16H21NO3
Canonical SMILES
CCCCCCC1=CC=C(C=C1)NC(=O)C=CC(=O)O
InChI
1S/C16H21NO3/c1-2-3-4-5-6-13-7-9-14(10-8-13)17-15(18)11-12-16(19)20/h7-12H,2-6H2,1H3,(H,17,18)(H,19,20)/b12-11-
InChIKey
OOWYMHDWBQTCOX-QXMHVHEDSA-N
PubChem Compound ID
23635730
Target and Pathway
Target(s) Thyroid hormone receptor beta-1 Target Info Inhibitor [529081]
Thyroid hormone receptor alpha Target Info Inhibitor [529081]
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 SIDS Susceptibility Pathways
Hematopoietic Stem Cell Differentiation
Nuclear ReceptorsWP474:Endochondral Ossification
Nuclear Receptors
References
Ref 529081J Med Chem. 2007 Nov 1;50(22):5269-80. Epub 2007 Oct 5.Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships.
Ref 529081J Med Chem. 2007 Nov 1;50(22):5269-80. Epub 2007 Oct 5.Inhibitors of the interaction of a thyroid hormone receptor and coactivators: preliminary structure-activity relationships.

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