TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 503.583 | Formula: C25H28F3N5OS
H donors: 1 H acceptors: 3 LogP: 4.69 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)c1ccc(cc1)CN1CCNCC1
InChi: 1S/C25H28F3N5OS/c1-2-3-14-33(23(34)20-8-10-21(11-9-20)25(26,27)28)24-31-30-22(35-24)19-6-4-18(5-7-19)17-32-15-12-29-13-16-32/h4-11,29H,2-3,12-17H2,1H3
InChiKey: VQWIBYWSNJDFMM-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	sphingosine-1-phosphate receptor 1	Starlite/ChEMBL	References
Homo sapiens	sphingosine-1-phosphate receptor 3	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0618	0.1393	0.1393
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0272	0.0569	0.0527
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0272	0.0569	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1416	0.33	0.3292
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0799	0.1826	0.1789
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.4223	1	1
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0799	0.1826	0.1826
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0069	0.0084	0.0039
Echinococcus granulosus	serine protein kinase ATM	0.0799	0.1826	0.1826
Echinococcus multilocularis	nervana 2	0.0062	0.0067	0.0067
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1416	0.33	0.33
Brugia malayi	p70 ribosomal S6 kinase beta	0.0094	0.0144	0.0144
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1416	0.33	0.3292
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0053	0.0044	0.0044
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.089	0.2044	0.2612
Trichomonas vaginalis	immunophilin, putative	0.0053	0.0044	0.0033
Schistosoma mansoni	serine/threonine-protein kinase	0.0069	0.0084	0.0084
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0063	0.0069	0.0069
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0272	0.0569	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0272	0.0569	0.0559
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0117	0.0199	0.0199
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0272	0.0569	0.0527
Trichomonas vaginalis	conserved hypothetical protein	0.0618	0.1393	0.1384
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2524	0.5943	0.5938
Loa Loa (eye worm)	hypothetical protein	0.0526	0.1175	0.1175
Plasmodium vivax	hypothetical protein, conserved	0.0272	0.0569	1
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0272	0.0569	0.0569
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2277	0.5354	0.5349
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0094	0.0144	0.0144
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0272	0.0569	0.0559
Mycobacterium leprae	conserved hypothetical protein	0.0272	0.0569	0.5
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0272	0.0569	0.0569
Trichomonas vaginalis	AGC family protein kinase	0.0101	0.0159	0.0148
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2499	0.5883	0.5878
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0272	0.0569	0.0527
Giardia lamblia	GTOR	0.4223	1	1
Schistosoma mansoni	serine/threonine-protein kinase	0.0069	0.0084	0.0084
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3141	0.7417	0.7414
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0272	0.0569	0.0559
Echinococcus multilocularis	serine protein kinase ATM	0.0799	0.1826	0.1826
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0272	0.0569	0.0569
Trichomonas vaginalis	PIKK family atypical protein kinase	0.228	0.5362	0.5357
Echinococcus multilocularis	nervana 2	0.0062	0.0067	0.0067
Onchocerca volvulus		0.0272	0.0569	0.5
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0272	0.0569	0.0559
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0272	0.0569	0.0569
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0069	0.0084	0.0039
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0053	0.0044	0.0033
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0272	0.0569	0.0527
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0272	0.0569	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3359	0.7937	0.7935
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0618	0.1393	0.1393
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0272	0.0569	0.0569
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3141	0.7417	0.7414
Trichomonas vaginalis	PIKK family atypical protein kinase	0.228	0.5362	0.5357
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0272	0.0569	0.0569
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0799	0.1826	0.1826
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0272	0.0569	0.0527
Leishmania major	hypothetical protein, conserved	0.0272	0.0569	0.0527
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0272	0.0569	0.0569
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3606	0.8526	0.8524
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0272	0.0569	0.0585
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0272	0.0569	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0272	0.0569	0.0527
Trichomonas vaginalis	AGC family protein kinase	0.0101	0.0159	0.0148
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.4223	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0272	0.0569	0.0569
Loa Loa (eye worm)	phosphatidylinositol 3	0.0272	0.0569	0.0569
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1416	0.33	0.33
Loa Loa (eye worm)	hypothetical protein	0.0272	0.0569	0.0569
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0799	0.1826	0.1826
Schistosoma mansoni	voltage-gated potassium channel	0.0128	0.0224	0.0224
Echinococcus multilocularis		0.0272	0.0569	0.0569
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0272	0.0569	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0861	0.1973	0.1973
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0062	0.0067	0.0067
Trichomonas vaginalis	conserved hypothetical protein	0.0526	0.1175	0.1166
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0045	0.0027	0.0027
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0101	0.0159	0.0115
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1133	0.2624	0.2616
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2499	0.5883	0.5878
Trypanosoma cruzi	Protein kinase B	0.0069	0.0084	0.0039
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0272	0.0569	0.0527
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.4223	1	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1416	0.33	0.33
Giardia lamblia	Kinase, AGC PKA	0.0063	0.0069	0.0024
Loa Loa (eye worm)	phosphatidylinositol 3	0.0272	0.0569	0.0569
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0526	0.1175	0.1136
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4223	1	1
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0053	0.0044	0.5
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0272	0.0569	0.0569
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0272	0.0569	0.0569
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0272	0.0569	0.0585
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1416	0.33	0.33
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0053	0.0044	0.0044
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0272	0.0569	0.0527
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.1754	0.4106	0.408
Echinococcus multilocularis	Zinc finger, PHD finger	0.0272	0.0569	0.0569
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.4223	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0272	0.0569	0.0569
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0272	0.0569	0.0527
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0272	0.0569	0.0569
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0799	0.1826	0.1817
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1416	0.33	0.3292
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0272	0.0569	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0109	0.018	0.0169
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0272	0.0569	0.0569
Trichomonas vaginalis	AGC family protein kinase	0.0101	0.0159	0.0148
Schistosoma mansoni	voltage-gated potassium channel	0.0128	0.0224	0.0224
Onchocerca volvulus		0.0272	0.0569	0.5
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0272	0.0569	0.0527
Loa Loa (eye worm)	hypothetical protein	0.0799	0.1826	0.1826
Trichomonas vaginalis	fk506-binding protein, putative	0.0053	0.0044	0.0033
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0053	0.0044	0.0044
Trypanosoma cruzi	target of rapamycin kinase 3	0.3363	0.7946	0.7936
Entamoeba histolytica	protein kinase, putative	0.0101	0.0159	0.0115
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0272	0.0569	1
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0272	0.0569	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3141	0.7417	0.7414
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4223	1	1
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0272	0.0569	0.0527
Echinococcus granulosus	nervana 2	0.0062	0.0067	0.0067
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0272	0.0569	0.0559
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0272	0.0569	0.0559
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0272	0.0569	0.0569
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.4223	1	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0101	0.0159	0.0159
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.3363	0.7946	0.7936
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0063	0.0069	0.0069
Entamoeba histolytica	protein kinase, putative	0.0101	0.0159	0.0115
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0799	0.1826	0.1817
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0272	0.0569	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0526	0.1175	0.1166
Loa Loa (eye worm)	phosphatidylinositol 3	0.4223	1	1
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0272	0.0569	0.0527
Loa Loa (eye worm)	phosphatidylinositol 3	0.0272	0.0569	0.0569
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0272	0.0569	0.0569
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1416	0.33	0.3292
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0799	0.1826	0.1826
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2524	0.5943	0.5938
Plasmodium vivax	hypothetical protein	0.0272	0.0569	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2277	0.5354	0.5349
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0045	0.0027	0.0027
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1416	0.33	0.327
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0272	0.0569	0.0569
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0069	0.0084	0.0039
Loa Loa (eye worm)	phosphatidylinositol 3	0.1416	0.33	0.33
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0272	0.0569	1
Echinococcus multilocularis	fk506 binding protein	0.0053	0.0044	0.0044
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1416	0.33	0.327
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3359	0.7937	0.7935
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0272	0.0569	0.0569
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0272	0.0569	0.0559
Loa Loa (eye worm)	hypothetical protein	0.0272	0.0569	0.0569
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.4223	1	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0117	0.0199	0.0199
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1416	0.33	0.327
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2524	0.5943	0.5938
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0053	0.0044	0.5
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.4223	1	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0272	0.0569	0.0585
Echinococcus granulosus	serine/threonine protein kinase	0.0069	0.0084	0.0084
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0272	0.0569	0.0569
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.3363	0.7946	0.7936
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0272	0.0569	0.0585
Schistosoma mansoni	immunophilin	0.0053	0.0044	0.0044
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0027	0.0027
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0272	0.0569	0.0527
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0117	0.0199	0.0199
Entamoeba histolytica	hypothetical protein	0.0272	0.0569	0.0527
Giardia lamblia	Hypothetical protein	0.0272	0.0569	0.0527
Trichomonas vaginalis	AGC family protein kinase	0.0101	0.0159	0.0148
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0053	0.0044	0.0033
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0272	0.0569	0.0569
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0799	0.1826	0.1826
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0272	0.0569	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3359	0.7937	0.7935
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0799	0.1826	0.1826
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0272	0.0569	0.0569
Loa Loa (eye worm)	phosphatidylinositol 3	0.0272	0.0569	0.0569
Trichomonas vaginalis	PIKK family atypical protein kinase	0.228	0.5362	0.5357
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0053	0.0044	0.0044
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1416	0.33	0.327
Entamoeba histolytica	hypothetical protein	0.0272	0.0569	0.0527
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0799	0.1826	0.1789
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0272	0.0569	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0272	0.0569	0.0559
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.4223	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0272	0.0569	0.0559
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0272	0.0569	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0799	0.1826	0.1817
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0272	0.0569	0.0569
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0063	0.0069	0.0024
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0272	0.0569	0.0559
Echinococcus granulosus	nervana 2	0.0062	0.0067	0.0067
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0272	0.0569	0.0569
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.1997	0.4686	0.4663
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3359	0.7937	0.7935
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0053	0.0044	0.0044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4223	1	1
Echinococcus multilocularis	Glutaredoxin protein 5	0.0062	0.0067	0.0067
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0053	0.0044	0.0044
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.4223	1	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0272	0.0569	0.0559
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1416	0.33	0.3292
Entamoeba histolytica	protein kinase 2, putative	0.0063	0.0069	0.0024
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1416	0.33	0.327
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0053	0.0044	0.0044
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2742	0.6463	0.6459
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0117	0.0199	0.0199
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0272	0.0569	0.0527
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0063	0.0069	0.0464
Leishmania major	hypothetical protein, unknown function	0.0272	0.0569	0.0527
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0272	0.0569	0.0585
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0272	0.0569	0.0569
Schistosoma mansoni	immunophilin	0.0045	0.0027	0.0027
Brugia malayi	Protein kinase domain containing protein	0.0101	0.0159	0.0159
Echinococcus granulosus	serine threonine protein kinase nrc	0.0063	0.0069	0.0069
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0272	0.0569	0.0569
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0062	0.0067	0.0067
Schistosoma mansoni	hypothetical protein	0.0272	0.0569	0.0569
Brugia malayi	FAT domain containing protein	0.0618	0.1393	0.1393
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0799	0.1826	0.1789
Trichomonas vaginalis	AGC family protein kinase	0.0101	0.0159	0.0148
Entamoeba histolytica	hypothetical protein	0.0272	0.0569	0.0527
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0272	0.0569	0.0527
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0272	0.0569	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.228	0.5362	0.5357
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3359	0.7937	0.7935
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0162	0.0162
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2277	0.5354	0.5349
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0272	0.0569	0.0527
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1416	0.33	0.327
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0799	0.1826	0.1789
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0272	0.0569	0.0569
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0272	0.0569	0.0559
Toxoplasma gondii	FATC domain-containing protein	0.0799	0.1826	0.2312
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3141	0.7417	0.7414
Trichomonas vaginalis	AGC family protein kinase	0.0101	0.0159	0.0148
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0272	0.0569	0.0559
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0063	0.0069	0.0464
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0272	0.0569	0.0559
Entamoeba histolytica	protein kinase rad3, putative	0.0799	0.1826	0.1789
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3141	0.7417	0.7414
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2833	0.6681	0.6677
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0272	0.0569	0.0569
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0109	0.018	0.0169
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0618	0.1393	0.1393
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0272	0.0569	0.0527
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.4223	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0101	0.0159	0.0148
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0272	0.0569	0.0527
Leishmania major	phosphatidylinositol kinase, putative	0.0272	0.0569	0.0527
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0272	0.0569	0.0527
Entamoeba histolytica	hypothetical protein	0.0799	0.1826	0.1789
Loa Loa (eye worm)	hypothetical protein	0.089	0.2044	0.2044
Loa Loa (eye worm)	hypothetical protein	0.0618	0.1393	0.1393
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0272	0.0569	0.0569
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.4223	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.089	0.2044	0.2035
Entamoeba histolytica	protein kinase, putative	0.0094	0.0144	0.01
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0272	0.0569	0.5
Echinococcus multilocularis	rac serine:threonine kinase	0.0069	0.0084	0.0084
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0272	0.0569	0.0527
Loa Loa (eye worm)	FKBP5 protein	0.0053	0.0044	0.0044
Entamoeba histolytica	hypothetical protein	0.0272	0.0569	0.0527
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0272	0.0569	0.0527
Echinococcus granulosus	Glutaredoxin protein 5	0.0062	0.0067	0.0067
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0272	0.0569	0.0569
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3141	0.7417	0.7414
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0272	0.0569	0.0569
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0272	0.0569	0.0569
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0272	0.0569	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0272	0.0569	0.0527
Toxoplasma gondii	target of rapamycin (TOR), putative	0.3141	0.7417	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3141	0.7417	0.7414
Schistosoma mansoni	immunophilin	0.0053	0.0044	0.0044
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0272	0.0569	0.0569

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 5	Agonist activity at human S1P3R expressed in HEK293T cells by Ca(2+) mobilization assay	ChEMBL.	22386243
EC50 (functional)	= 7.3	Agonist activity at human S1P1 receptor expressed in human U2OS cells assessed as beta-arrestin-mediated receptor internalization by beta-lactamase reporter assay	ChEMBL.	22386243

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL2011734

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1635419