Target Validation Information
TTD ID	T13852
Target Name	Sphingosine-1-phosphate receptor 1 (S1PR1)
Type of Target	Successful
Drug Potency against Target		Drug Info	IC50 < 500 nM
	Fingolimod	Drug Info	IC50 = 0.137~10.98 nM	[7]
	(3-Tetradecylamino-cyclohexyl)-phosphonic acid	Drug Info	IC50 = 23 nM	[1]
	(3-Tetradecylamino-cyclopentyl)-phosphonic acid	Drug Info	IC50 = 360 nM	[1]
	1-(4-nonylbenzyl)azetidine-3-carboxylic acid	Drug Info	IC50 = 18 nM	[2]
	1-(4-nonylbenzyl)pyrrolidin-3-ylphosphonic acid	Drug Info	IC50 = 6.9 nM	[2]
	1-(4-nonylbenzyl)pyrrolidine-3-carboxylic acid	Drug Info	IC50 = 20 nM	[2]
	3-(N-alkylamino) propylphosphonic acid derivative	Drug Info	IC50 = 0.28 nM	[1]
	3-(tetradecylamino)propylphosphonic acid	Drug Info	IC50 = 2.3 nM	[2]
	3-amino-5-(4-octylphenyl)pentanoic acid	Drug Info	IC50 = 1900 nM	[3]
	4-amino-6-(4-octylphenyl)hexanoic acid	Drug Info	IC50 = 710 nM	[3]
	GNF-PF-78	Drug Info	IC50 = 3655 nM	[5]
	GNF-PF-826	Drug Info	IC50 = 4232 nM	[5]
	Sphingosine-1-phosphate	Drug Info	IC50 = 0.78 nM	[4]
	[3-(4-Nonyl-benzylamino)-propyl]-phosphonic acid	Drug Info	IC50 = 3.1 nM	[1]
Action against Disease Model	Fingolimod	Drug Info	The IC50 values to cell lines MCF-7 (IC50=6.8???.6 uM), MDA-MB-231(IC50=6.7???.5 uM), Sk-Br-3(IC50=5.8???.3 uM), HCT-116(IC50=5.7???.2 uM), and SW620(IC50=6.7???.6 uM), are determined by WST-1 assay 48h after treatment.	[6]
References
REF 1	Design and synthesis of conformationally constrained 3-(N-alkylamino)propylphosphonic acids as potent agonists of sphingosine-1-phosphate (S1P) rec... Bioorg Med Chem Lett. 2004 Oct 4;14(19):4861-6.
REF 2	A rational utilization of high-throughput screening affords selective, orally bioavailable 1-benzyl-3-carboxyazetidine sphingosine-1-phosphate-1 re... J Med Chem. 2004 Dec 30;47(27):6662-5.
REF 3	S1P receptor mediated activity of FTY720 phosphate mimics. Bioorg Med Chem Lett. 2010 Mar 1;20(5):1485-7.
REF 4	Exploration of amino alcohol derivatives as novel, potent, and highly selective sphingosine-1-phosphate receptor subtype-1 agonists. Bioorg Med Chem Lett. 2010 Apr 15;20(8):2520-4.
REF 5	In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2). Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6.
REF 6	Asymmetric synthesis and biological evaluation of the enantiomeric isomers of the immunosuppressive FTY720-phosphate. Bioorg Med Chem. 2005 Jan 17;13(2):425-32.
REF 7	Effects of phosphorylation of immunomodulatory agent FTY720 (fingolimod) on antiproliferative activity against breast and colon cancer cells. Biol Pharm Bull. 2008 Jun;31(6):1177-81.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.