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)c1ccc(cc1)CN(C)C
InChi: 1S/C23H25F3N4OS/c1-4-5-14-30(21(31)18-10-12-19(13-11-18)23(24,25)26)22-28-27-20(32-22)17-8-6-16(7-9-17)15-29(2)3/h6-13H,4-5,14-15H2,1-3H3
InChiKey: POSKEGFQAIWVNT-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
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0108	0.0528	0.0528
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0108	0.0528	0.0527
Schistosoma mansoni	serine/threonine-protein kinase	0.0023	0.0014	0.0006
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0564	0.327	0.3265
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0108	0.0528	0.052
Brugia malayi	FAT domain containing protein	0.0246	0.1355	0.1348
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0564	0.327	0.3265
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0564	0.327	0.3265
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1681	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1337	0.7928	0.7927
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0318	0.179	0.1789
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0108	0.0528	0.0527
Echinococcus granulosus	serine/threonine protein kinase	0.0023	0.0014	0.0014
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0564	0.327	0.3265
Entamoeba histolytica	hypothetical protein	0.0108	0.0528	0.0527
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0318	0.179	0.1783
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0564	0.327	0.3265
Schistosoma mansoni	voltage-gated potassium channel	0.0032	0.007	0.0062
Brugia malayi	Protein kinase domain containing protein	0.0034	0.0078	0.007
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0564	0.327	0.3265
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1004	0.5925	0.5922
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0564	0.327	0.327
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0318	0.179	0.1783
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0022	0.0008	0.0008
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0108	0.0528	0.0528
Giardia lamblia	GTOR	0.1681	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0108	0.0528	0.052
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0108	0.0528	0.052
Schistosoma mansoni	serine/threonine-protein kinase	0.0023	0.0014	0.0006
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0022	0.0008	0.0008
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0108	0.0528	0.063
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0034	0.0078	0.007
Loa Loa (eye worm)	phosphatidylinositol 3	0.0108	0.0528	0.052
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1681	1	1
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0108	0.0528	0.0454
Loa Loa (eye worm)	hypothetical protein	0.0354	0.2009	0.2002
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0014	0.0013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1004	0.5925	0.5922
Trichomonas vaginalis	conserved hypothetical protein	0.0246	0.1355	0.1348
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0108	0.0528	0.052
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0108	0.0528	0.0528
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0209	0.1137	0.1129
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1338	0.7937	0.7822
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0108	0.0528	0.0528
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0108	0.0528	0.052
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0108	0.0528	0.052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0994	0.5865	0.5862
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0032	0.007	0.007
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0108	0.0528	1
Entamoeba histolytica	protein kinase, putative	0.0034	0.0078	0.0076
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0105	0.0505	0.0497
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0906	0.5334	0.533
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0032	0.0065	0.0057
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0112	0.0549	0.0541
Mycobacterium leprae	conserved hypothetical protein	0.0108	0.0528	0.5
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0318	0.179	0.179
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0108	0.0528	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0908	0.5342	0.5338
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0112	0.0549	0.0549
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0108	0.0528	0.0528
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1681	1	1
Echinococcus multilocularis	rac serine:threonine kinase	0.0023	0.0014	0.0014
Entamoeba histolytica	protein kinase, putative	0.0032	0.0065	0.0064
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0108	0.0528	0.5
Toxoplasma gondii	target of rapamycin (TOR), putative	0.125	0.7405	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0108	0.0528	0.0527
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0108	0.0528	0.0527
Entamoeba histolytica	protein kinase rad3, putative	0.0318	0.179	0.1789
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0108	0.0528	0.0527
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0022	0.0008	0.0008
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0108	0.0528	0.052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0528	0.052
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0318	0.179	0.1783
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0023	0.0014	0.0013
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0108	0.0528	0.0528
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0108	0.0528	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1337	0.7928	0.7927
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0564	0.327	0.3269
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0108	0.0528	0.0454
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0318	0.179	0.1789
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0108	0.0528	0.0454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0908	0.5342	0.5338
Loa Loa (eye worm)	phosphatidylinositol 3	0.0108	0.0528	0.052
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0246	0.1355	0.1355
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0108	0.0528	0.052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1337	0.7928	0.7927
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0108	0.0528	0.052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0318	0.179	0.1783
Echinococcus granulosus	serine protein kinase ATM	0.0318	0.179	0.179
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0108	0.0528	0.052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0908	0.5342	0.5338
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.7405	0.7403
Schistosoma mansoni	voltage-gated potassium channel	0.0122	0.0611	0.0603
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1681	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0108	0.0528	1
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0528	0.052
Onchocerca volvulus		0.0108	0.0528	0.5
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0108	0.0528	0.052
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0795	0.4663	0.4621
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1337	0.7928	0.7927
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0108	0.0528	0.0527
Onchocerca volvulus		0.0108	0.0528	0.5
Echinococcus granulosus	hyperpolarization activated cyclic	0.0022	0.0008	0.0008
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0108	0.0528	0.052
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0108	0.0528	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1681	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0528	0.052
Loa Loa (eye worm)	phosphatidylinositol 3	0.0108	0.0528	0.052
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0564	0.327	0.3218
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1435	0.8519	0.8518
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0108	0.0528	0.0527
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0108	0.0528	0.052
Schistosoma mansoni	voltage-gated potassium channel	0.0032	0.007	0.0062
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0108	0.0528	0.0527
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1681	1	1
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0108	0.0528	0.052
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0021	0.0001	0.0001
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0108	0.0528	0.052
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0564	0.327	0.327
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0022	0.0008	0.0008
Echinococcus multilocularis	serine protein kinase ATM	0.0318	0.179	0.179
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1681	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1091	0.6448	0.6445
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0112	0.0549	0.0549
Loa Loa (eye worm)	hypothetical protein	0.0343	0.1938	0.1932
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0078	0.007
Plasmodium vivax	hypothetical protein	0.0108	0.0528	1
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0108	0.0528	0.0528
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0022	0.0008	0.0008
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0022	0.0008	0.0008
Trichomonas vaginalis	conserved hypothetical protein	0.0209	0.1137	0.1129
Loa Loa (eye worm)	phosphatidylinositol 3	0.0564	0.327	0.3265
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0105	0.0505	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0108	0.0528	0.052
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0108	0.0528	0.052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0451	0.2591	0.2585
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0108	0.0528	0.0528
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0994	0.5865	0.5862
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0078	0.007
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0032	0.007	0.0062
Trypanosoma cruzi	Protein kinase B	0.0023	0.0014	0.0013
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0108	0.0528	0.052
Loa Loa (eye worm)	hypothetical protein	0.0209	0.1137	0.1129
Echinococcus granulosus	hyperpolarization activated cyclic	0.0022	0.0008	0.0008
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1681	1	1
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0022	0.0008	0.0008
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0564	0.327	0.2895
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0108	0.0528	0.0528
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0108	0.0528	1
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0108	0.0528	0.052
Loa Loa (eye worm)	phosphatidylinositol 3	0.0108	0.0528	0.052
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1681	1	1
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0108	0.0528	0.0528
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0021	0.0001	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0032	0.007	0.0062
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0698	0.408	0.4034
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0108	0.0528	0.052
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0108	0.0528	0.052
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0108	0.0528	0.052
Loa Loa (eye worm)	hypothetical protein	0.0246	0.1355	0.1348
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0318	0.179	0.1725
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0564	0.327	0.2895
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0108	0.0528	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0906	0.5334	0.533
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1681	1	1
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0108	0.0528	1
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0108	0.0528	1
Schistosoma mansoni	voltage-gated potassium channel	0.0122	0.0611	0.0603
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0108	0.0528	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1337	0.7928	0.7927
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0908	0.5342	0.5338
Entamoeba histolytica	protein kinase, putative	0.0034	0.0078	0.0076
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0564	0.327	0.3218
Entamoeba histolytica	hypothetical protein	0.0108	0.0528	0.0527
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0108	0.0528	0.0527
Toxoplasma gondii	FATC domain-containing protein	0.0318	0.179	0.2349
Entamoeba histolytica	hypothetical protein	0.0108	0.0528	0.0527
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0564	0.327	0.3269
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0318	0.179	0.1789
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0078	0.007
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0108	0.0528	0.063
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.7405	0.7403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0318	0.179	0.1783
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0112	0.0549	0.0541
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0108	0.0528	0.052
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0318	0.179	0.1783
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0078	0.007
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0078	0.007
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0108	0.0528	0.0528
Loa Loa (eye worm)	hypothetical protein	0.0097	0.046	0.0452
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0022	0.0008	0.0008
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0108	0.0528	0.052
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0108	0.0528	0.0528
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0108	0.0528	0.0527
Trypanosoma cruzi	target of rapamycin kinase 3	0.1338	0.7937	0.7936
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0246	0.1355	0.1355
Echinococcus granulosus	voltage gated potassium channel	0.0032	0.007	0.007
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0108	0.0528	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.7405	0.7403
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1127	0.6667	0.6664
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0108	0.0528	0.0527
Entamoeba histolytica	hypothetical protein	0.0318	0.179	0.1789
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0078	0.007
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.7405	0.7403
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0108	0.0528	0.0528
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0108	0.0528	0.0527
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0108	0.0528	0.052
Echinococcus multilocularis		0.0108	0.0528	0.0528
Echinococcus multilocularis	voltage gated potassium channel	0.0032	0.007	0.007
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0108	0.0528	0.0527
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0108	0.0528	0.052
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1681	1	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.1681	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1681	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0034	0.0078	0.007
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0354	0.2009	0.2648
Schistosoma mansoni	hypothetical protein	0.0246	0.1355	0.1348
Giardia lamblia	Hypothetical protein	0.0108	0.0528	0.0527
Entamoeba histolytica	hypothetical protein	0.0108	0.0528	0.0527
Echinococcus multilocularis	Zinc finger, PHD finger	0.0108	0.0528	0.0528
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0108	0.0528	0.052
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0318	0.179	0.179
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0032	0.007	0.007
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0022	0.0008	0.0008
Brugia malayi	p70 ribosomal S6 kinase beta	0.0032	0.0065	0.0057
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1338	0.7937	0.792
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1681	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0354	0.2009	0.2002
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0108	0.0528	0.0528
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0108	0.0528	0.052
Loa Loa (eye worm)	hypothetical protein	0.0318	0.179	0.1783
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0108	0.0528	0.0527
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0209	0.1137	0.1135
Echinococcus granulosus	serine threonine protein kinase nrc	0.0021	0.0001	0.0001
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0108	0.0528	0.052
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0023	0.0014	0.0013
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0108	0.0528	0.0454
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0108	0.0528	0.0527
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0108	0.0528	0.063
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0108	0.0528	0.063
Schistosoma mansoni	hypothetical protein	0.0108	0.0528	0.052
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0108	0.0528	0.052
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1681	1	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0108	0.0528	0.052
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0564	0.327	0.3265
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.7405	0.7403
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0318	0.179	0.1783
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0108	0.0528	0.063
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1004	0.5925	0.5922
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.7405	0.7403
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0108	0.0528	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0108	0.0528	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0906	0.5334	0.533
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0108	0.0528	0.0527
Trichomonas vaginalis	PIKK family atypical protein kinase	0.125	0.7405	0.7403

Activities

Activity type	Activity value	Assay description	Source	Reference
CLH (ADMET)	= 478.4 uL/min	Intrinsic clearance in mouse liver microsomes assessed per mg of protein at 0.5 uM by LC/MS/MS analysis	ChEMBL.	22386243
EC50 (functional)	> 5	Agonist activity at human S1P3R expressed in HEK293T cells by Ca(2+) mobilization assay	ChEMBL.	22386243
EC50 (functional)	= 7.5	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: CHEMBL2011738

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1635423