Drug General Information
Drug ID	D01LEG
Former ID	DNC005324
Drug Name	Thiophosphoric acid dodecyl ester
Drug Type	Small molecular drug
Indication	Discovery agent		Investigative	[527648]
Structure		Download 2D MOL
Formula	C12H27O3PS
Canonical SMILES	CCCCCCCCCCCCOP(=S)(O)O
InChI	1S/C12H27O3PS/c1-2-3-4-5-6-7-8-9-10-11-12-15-16(13,14)17/h2-12H2,1H3,(H2,13,14,17)
InChIKey	ISWBBUXCFWZBKC-UHFFFAOYSA-N
PubChem Compound ID	10468943
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 527648	J 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 527648	J 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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