Drug Information

Drug General Information
Drug ID
D0C8HN
Former ID
DNC009774
Drug Name
13-(3-n-Pentylthioureido)tridec-8(Z)-enoic Acid
Drug Type
Small molecular drug
Indication Discovery agent Investigative [530294]
Structure
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2D MOL

3D MOL
Formula
C19H36N2O2S
Canonical SMILES
CCCCCNC(=S)NCCCCC=CCCCCCCC(=O)O
InChI
1S/C19H36N2O2S/c1-2-3-13-16-20-19(24)21-17-14-11-9-7-5-4-6-8-10-12-15-18(22)23/h5,7H,2-4,6,8-17H2,1H3,(H,22,23)(H2,20,21,24)/b7-5-
InChIKey
XZCDMUCBAMBZQK-ALCCZGGFSA-N
PubChem Compound ID
44234660
Target and Pathway
Target(s) Soluble epoxide hydrolase Target Info Inhibitor [530294]
KEGG Pathway Arachidonic acid metabolism
Metabolic pathways
Peroxisome
PathWhiz Pathway Arachidonic Acid Metabolism
WikiPathways Metapathway biotransformation
Arachidonate Epoxygenase / Epoxide Hydrolase
Arachidonic acid metabolism
References
Ref 530294J Med Chem. 2009 Aug 27;52(16):5069-75.14,15-Epoxyeicosa-5,8,11-trienoic acid (14,15-EET) surrogates containing epoxide bioisosteres: influence upon vascular relaxation and soluble epoxide hydrolase inhibition.
Ref 530294J Med Chem. 2009 Aug 27;52(16):5069-75.14,15-Epoxyeicosa-5,8,11-trienoic acid (14,15-EET) surrogates containing epoxide bioisosteres: influence upon vascular relaxation and soluble epoxide hydrolase inhibition.

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