Drug General Information
Drug ID
D0K7XQ
Former ID
DNC004288
Drug Name
N-hydroxy-N-[1-(4-isobutylphenyl)ethyl]urea
Drug Type
Small molecular drug
Indication Discovery agent Investigative [534335]
Structure
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2D MOL

3D MOL

Formula
C13H20N2O2
Canonical SMILES
CC(C)CC1=CC=C(C=C1)C(C)N(C(=O)N)O
InChI
1S/C13H20N2O2/c1-9(2)8-11-4-6-12(7-5-11)10(3)15(17)13(14)16/h4-7,9-10,17H,8H2,1-3H3,(H2,14,16)
InChIKey
FBLDKAJQWYMCKR-UHFFFAOYSA-N
PubChem Compound ID
Target and Pathway
Target(s) Arachidonate 5-lipoxygenase Target Info Inhibitor [534335]
mRNA of human 5-lipoxygenase Target Info Inhibitor [534335]
BioCyc Pathway Aspirin-triggered lipoxin biosynthesis
Resolvin D biosynthesis
Leukotriene biosynthesis
Lipoxin biosynthesis
Aspirin triggered resolvin D biosynthesis
Aspirin triggered resolvin E biosynthesisPWY66-393:Aspirin-triggered lipoxin biosynthesis
Aspirin triggered resolvin E biosynthesis
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Serotonergic synapse
Ovarian steroidogenesis
Toxoplasmosishsa00590:Arachidonic acid metabolism
Toxoplasmosis
NetPath Pathway IL4 Signaling PathwayNetPath_16:IL4 Signaling Pathway
PathWhiz Pathway Arachidonic Acid MetabolismPW000044:Arachidonic Acid Metabolism
WikiPathways Vitamin D Receptor Pathway
Arachidonic acid metabolism
Eicosanoid Synthesis
Selenium Micronutrient NetworkWP2650:Arachidonic acid metabolism
Selenium Micronutrient Network
References
Ref 534335J Med Chem. 1997 Feb 28;40(5):819-24.Nonsteroidal anti-inflammatory drugs as scaffolds for the design of 5-lipoxygenase inhibitors.
Ref 534335J Med Chem. 1997 Feb 28;40(5):819-24.Nonsteroidal anti-inflammatory drugs as scaffolds for the design of 5-lipoxygenase inhibitors.

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