Drug Information

Drug General Information
Drug ID
D0XY0Z
Former ID
DNC005326
Drug Name
Thiophosphoric acid (E)-dodec-9-enyl ester
Drug Type
Small molecular drug
Indication Discovery agent Investigative [527648]
Structure
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2D MOL

3D MOL
Formula
C12H25O3PS
Canonical SMILES
CCC=CCCCCCCCCOP(=S)(O)O
InChI
1S/C12H25O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h3-4H,2,5-12H2,1H3,(H2,13,14,17)/b4-3+
InChIKey
WIHXFYRABDDREX-ONEGZZNKSA-N
PubChem Compound ID
11208266
Target and Pathway
Target(s) Lysophosphatidic acid receptor Edg-2 Target Info Inhibitor [527648]
KEGG Pathway Rap1 signaling pathway
Neuroactive ligand-receptor interaction
PI3K-Akt signaling pathway
Gap junction
Pathways in cancer
NetPath Pathway TGF_beta_Receptor Signaling Pathway
Pathway Interaction Database LPA receptor mediated events
Reactome G alpha (q) signalling events
G alpha (i) signalling events
Lysosphingolipid and LPA receptors
WikiPathways Myometrial Relaxation and Contraction Pathways
Gastrin-CREB signalling pathway via PKC and MAPK
Small Ligand GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 527648J Med Chem. 2005 Jul 28;48(15):4919-30.Synthesis, structure-activity relationships, and biological evaluation of fatty alcohol phosphates as lysophosphatidic acid receptor ligands, activators of PPARgamma, and inhibitors of autotaxin.
Ref 527648J Med Chem. 2005 Jul 28;48(15):4919-30.Synthesis, structure-activity relationships, and biological evaluation of fatty alcohol phosphates as lysophosphatidic acid receptor ligands, activators of PPARgamma, and inhibitors of autotaxin.

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