TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 462.531 | Formula: C23H25F3N4OS
H donors: 0 H acceptors: 3 LogP: 5.35 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)c1cccc(c1)CN(C)C
InChi: 1S/C23H25F3N4OS/c1-4-5-13-30(21(31)17-9-11-19(12-10-17)23(24,25)26)22-28-27-20(32-22)18-8-6-7-16(14-18)15-29(2)3/h6-12,14H,4-5,13,15H2,1-3H3
InChiKey: OBEOZKRRBGGIJV-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 3	Starlite/ChEMBL	References
Homo sapiens	sphingosine-1-phosphate receptor 1	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
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0285	0.0527	0.0525
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2319	0.5366	0.5322
Trichomonas vaginalis	immunophilin, putative	0.0106	0.0099	0.0005
Loa Loa (eye worm)	hypothetical protein	0.054	0.1132	0.1125
Entamoeba histolytica	hypothetical protein	0.0431	0.0874	0.0873
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0343	0.0665	0.0576
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0285	0.0527	0.0609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.254	0.5894	0.5855
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0106	0.0099	0.1713
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.047	0.0967	0.0881
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0633	0.1355	0.1355
Trichomonas vaginalis	PIKK family atypical protein kinase	0.255	0.5917	0.5878
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0304	0.0572	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0633	0.1355	0.1348
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.047	0.0967	0.0965
Brugia malayi	Protein kinase domain containing protein	0.0103	0.0094	0.0015
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0343	0.0665	0.0576
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0106	0.0099	0.0098
Giardia lamblia	Hypothetical protein	0.0285	0.0527	0.0525
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0071	0.0017	0.0015
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0285	0.0527	0.0511
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.4266	1	1
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0285	0.0527	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3183	0.7424	0.7399
Trichomonas vaginalis	fk506-binding protein, putative	0.0106	0.0099	0.0005
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0825	0.1811	0.1809
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2322	0.5375	0.5331
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0534	0.112	0.112
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0285	0.0527	0.0609
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.1507	0.3434	0.3434
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0825	0.1811	0.1745
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.4266	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0825	0.1811	0.1733
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0106	0.0099	0.0099
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0633	0.1355	0.1355
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0285	0.0527	0.9199
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0064	0.0002	0.0002
Trichomonas vaginalis	conserved hypothetical protein	0.0918	0.2033	0.1957
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0106	0.0099	0.0099
Loa Loa (eye worm)	FKBP5 protein	0.0106	0.0099	0.0091
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0285	0.0527	0.0527
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0155	0.0217	0.0217
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0364	0.0714	0.0713
Echinococcus granulosus	serine protein kinase ATM	0.0825	0.1811	0.1811
Entamoeba histolytica	protein kinase, putative	0.0103	0.0094	0.0093
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1507	0.3434	0.3382
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0106	0.0099	0.0083
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1458	0.3317	0.3254
Entamoeba histolytica	protein kinase rad3, putative	0.0825	0.1811	0.1809
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0324	0.0619	0.0618
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0106	0.0099	0.002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1146	0.2576	0.2505
Trichomonas vaginalis	PIKK family atypical protein kinase	0.254	0.5894	0.5855
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0185	0.0289	0.0287
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.041	0.0825	0.0737
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.054	0.1132	0.1131
Loa Loa (eye worm)	hypothetical protein	0.0861	0.1897	0.1891
Entamoeba histolytica	protein kinase, putative	0.0103	0.0094	0.0093
Schistosoma mansoni	hypothetical protein	0.0633	0.1355	0.134
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3183	0.7424	0.7399
Trichomonas vaginalis	PIKK family atypical protein kinase	0.054	0.1132	0.1048
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2322	0.5375	0.5331
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0825	0.1811	0.1811
Entamoeba histolytica	hypothetical protein	0.0285	0.0527	0.0525
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3401	0.7943	0.7923
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0638	0.1367	0.1352
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0304	0.0572	0.0483
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3633	0.8493	0.8479
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0304	0.0572	0.0556
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0304	0.0572	0.0571
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0285	0.0527	0.0436
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0106	0.0099	0.0005
Echinococcus multilocularis	Zinc finger, PHD finger	0.0304	0.0572	0.0572
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4266	1	1
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0304	0.0572	0.0572
Loa Loa (eye worm)	phosphatidylinositol 3	0.1468	0.3342	0.3337
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.047	0.0967	0.0895
Loa Loa (eye worm)	phosphatidylinositol 3	0.0285	0.0527	0.0519
Echinococcus multilocularis		0.0285	0.0527	0.0527
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0285	0.0527	0.0525
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0825	0.1811	0.1797
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0285	0.0527	0.9199
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1458	0.3317	0.3254
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0285	0.0527	0.9199
Trichomonas vaginalis	conserved hypothetical protein	0.054	0.1132	0.1048
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4266	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0285	0.0527	0.0519
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0106	0.0099	0.0098
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.047	0.0967	0.0881
Schistosoma mansoni	voltage-gated potassium channel	0.0169	0.0251	0.0235
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0285	0.0527	0.0525
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0155	0.0217	0.0209
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0304	0.0572	0.0497
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.4266	1	1
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0106	0.0099	0.0005
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.1458	0.3317	0.3254
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0304	0.0572	0.0671
Loa Loa (eye worm)	phosphatidylinositol 3	0.0599	0.1274	0.1267
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0106	0.0099	0.0098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0285	0.0527	0.0436
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0304	0.0572	0.0556
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1458	0.3317	0.3254
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0065	0.0057
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.1783	0.4091	0.4034
Onchocerca volvulus		0.0285	0.0527	0.5
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.4266	1	1
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0304	0.0572	0.0571
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0343	0.0665	0.0576
Entamoeba histolytica	hypothetical protein	0.0825	0.1811	0.1809
Leishmania major	hypothetical protein, unknown function	0.0285	0.0527	0.0431
Trichomonas vaginalis	conserved hypothetical protein	0.0633	0.1355	0.1273
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.3405	0.7951	0.793
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0106	0.0099	0.5
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0106	0.0099	0.0098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.255	0.5917	0.5878
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0285	0.0527	0.0519
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2319	0.5366	0.5322
Loa Loa (eye worm)	hypothetical protein	0.0285	0.0527	0.0519
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0304	0.0572	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.4266	1	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.1507	0.3434	0.3423
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0304	0.0572	0.0483
Loa Loa (eye worm)	hypothetical protein	0.0825	0.1811	0.1804
Entamoeba histolytica	hypothetical protein	0.0285	0.0527	0.0525
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3183	0.7424	0.7399
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0825	0.1811	0.1809
Echinococcus multilocularis	rac serine:threonine kinase	0.0071	0.0017	0.0017
Echinococcus granulosus	serine/threonine protein kinase	0.0071	0.0017	0.0017
Trypanosoma cruzi	target of rapamycin kinase 3	0.3405	0.7951	0.7951
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0106	0.0099	0.5
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0285	0.0527	0.0431
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.4266	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0145	0.0193	0.01
Loa Loa (eye worm)	phosphatidylinositol 3	0.4266	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0285	0.0527	0.9199
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0091	0.0065	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0403	0.0807	0.08
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0343	0.0665	0.0649
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0285	0.0527	0.5
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0285	0.0527	0.0525
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0155	0.0217	0.0139
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.3405	0.7951	0.7932
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0304	0.0572	0.0572
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0071	0.0017	0.0015
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0825	0.1811	0.1745
Schistosoma mansoni	hypothetical protein	0.0285	0.0527	0.0511
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3401	0.7943	0.7923
Toxoplasma gondii	FATC domain-containing protein	0.0825	0.1811	0.2358
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0285	0.0527	0.9199
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0304	0.0572	0.0483
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0431	0.0874	0.0873
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0106	0.0099	0.0098
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0071	0.0017	0.0015
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0285	0.0527	0.0451
Leishmania major	phosphatidylinositol 3-kinase, putative	0.1458	0.3317	0.325
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3401	0.7943	0.7923
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0285	0.0527	0.0436
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.1507	0.3434	0.3434
Leishmania major	hypothetical protein, conserved	0.0373	0.0737	0.0644
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1507	0.3434	0.3433
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0106	0.0099	0.002
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0304	0.0572	0.0671
Schistosoma mansoni	immunophilin	0.0091	0.0065	0.0048
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0064	0.0002	0.0002
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.4266	1	1
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0285	0.0527	0.0525
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0106	0.0099	0.0005
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0403	0.0807	0.0807
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0343	0.0665	0.0663
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.4266	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0343	0.0665	0.0663
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0168	0.0248	0.017
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.1507	0.3434	0.3433
Trichomonas vaginalis	PIKK family atypical protein kinase	0.255	0.5917	0.5878
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.4266	1	1
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0343	0.0665	0.0576
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.1468	0.3342	0.3279
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0106	0.0099	0.1713
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.4266	1	1
Entamoeba histolytica	protein kinase, putative	0.0097	0.0079	0.0077
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0304	0.0572	1
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0285	0.0527	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1458	0.3317	0.3254
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2768	0.6436	0.6402
Loa Loa (eye worm)	phosphatidylinositol 3	0.0285	0.0527	0.0519
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0304	0.0572	0.0571
Schistosoma mansoni	immunophilin	0.0106	0.0099	0.0083
Schistosoma mansoni	voltage-gated potassium channel	0.0169	0.0251	0.0235
Giardia lamblia	GTOR	0.4266	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0343	0.0665	0.059
Loa Loa (eye worm)	phosphatidylinositol 3	0.0285	0.0527	0.0519
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0304	0.0572	0.0478
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0285	0.0527	0.0436
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0825	0.1811	0.1811
Mycobacterium leprae	conserved hypothetical protein	0.0285	0.0527	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2322	0.5375	0.5331
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0343	0.0665	0.0663
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.1468	0.3342	0.3275
Echinococcus granulosus	serine threonine protein kinase nrc	0.0064	0.0002	0.0002
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0285	0.0527	0.0525
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0825	0.1811	0.1733
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0106	0.0099	0.0099
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0403	0.0807	0.0807
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0091	0.0065	0.0065
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0304	0.0572	0.0565
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.201	0.4633	0.4582
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3401	0.7943	0.7923
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1468	0.3342	0.3279
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0825	0.1811	0.1733
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0285	0.0527	0.0609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2322	0.5375	0.5331
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3401	0.7943	0.7923
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0285	0.0527	0.0451
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0145	0.0193	0.01
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2319	0.5366	0.5322
Plasmodium vivax	hypothetical protein	0.0285	0.0527	0.9199
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0169	0.0161
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0403	0.0807	0.0734
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0106	0.0099	0.0098
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0371	0.0732	0.0731
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0825	0.1811	0.1797
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0534	0.112	0.112
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0304	0.0572	0.0478
Echinococcus multilocularis	serine protein kinase ATM	0.0825	0.1811	0.1811
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3183	0.7424	0.7399
Schistosoma mansoni	immunophilin	0.0106	0.0099	0.0083
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0285	0.0527	0.0436
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0106	0.0099	0.0005
Brugia malayi	FAT domain containing protein	0.0633	0.1355	0.1286
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0835	0.1836	0.1834
Echinococcus multilocularis	fk506 binding protein	0.0106	0.0099	0.0099
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.041	0.0825	0.0737
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0097	0.0079	0.0071
Onchocerca volvulus		0.0285	0.0527	0.5
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.047	0.0967	0.0965
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0106	0.0099	0.0091
Entamoeba histolytica	hypothetical protein	0.0285	0.0527	0.0525
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0285	0.0527	0.0451
Trypanosoma cruzi	hypothetical protein, conserved	0.0088	0.0059	0.0057
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.047	0.0967	0.0881
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0103	0.0094	0.0086
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4266	1	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0918	0.2033	0.2661
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0106	0.0099	0.0098
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0285	0.0527	0.0511
Toxoplasma gondii	target of rapamycin (TOR), putative	0.3183	0.7424	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3183	0.7424	0.7399
Trypanosoma cruzi	Protein kinase B	0.0071	0.0017	0.0015
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0285	0.0527	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3183	0.7424	0.7399
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0285	0.0527	0.0527
Leishmania major	phosphatidylinositol kinase, putative	0.0285	0.0527	0.0431
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0304	0.0572	0.0571
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0304	0.0572	0.0483
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0285	0.0527	0.0525
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2862	0.6659	0.6627
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3183	0.7424	0.7399
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0285	0.0527	0.9199
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0155	0.0217	0.0217
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0638	0.1367	0.1367
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0285	0.0527	0.0511
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0285	0.0527	0.0436
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.047	0.0967	0.0965
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0835	0.1836	0.1758
Loa Loa (eye worm)	hypothetical protein	0.0918	0.2033	0.2027
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0638	0.1367	0.1367
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0285	0.0527	0.0431
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.4266	1	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0106	0.0099	0.0098

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)	= 6.2	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: CHEMBL2011737

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1635422