TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 444.473 | Formula: C22H19F3N4OS
H donors: 1 H acceptors: 3 LogP: 5.64 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCCCN(C(=O)c1ccc(cc1)C(F)(F)F)c1nnc(s1)c1cccc2c1cc[nH]2
InChi: 1S/C22H19F3N4OS/c1-2-3-13-29(20(30)14-7-9-15(10-8-14)22(23,24)25)21-28-27-19(31-21)17-5-4-6-18-16(17)11-12-26-18/h4-12,26H,2-3,13H2,1H3
InChiKey: RFBSWFQQWBHWCG-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
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0844	0.118	0.1174
Loa Loa (eye worm)	hypothetical protein	0.1351	0.1947	0.1947
Loa Loa (eye worm)	phosphatidylinositol 3	0.0799	0.1113	0.1113
Trypanosoma cruzi	hypothetical protein, conserved	0.0101	0.0056	0.0052
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0585	0.0788	0.0782
Schistosoma mansoni	voltage-gated potassium channel	0.0256	0.0291	0.0284
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3969	0.5906	0.5903
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1793	0.2615	0.2611
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0118	0.0083	0.0077
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0486	0.0639	0.0561
Schistosoma mansoni	fkbp-rapamycin associated protein	0.1283	0.1844	0.1839
Onchocerca volvulus		0.0442	0.0572	0.5
Loa Loa (eye worm)	phosphatidylinositol 3	0.0442	0.0572	0.0572
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0653	0.0891	0.0891
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0464	0.0605	0.0527
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.2282	0.3355	0.3299
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0464	0.0605	0.0527
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.6677	1	1
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0464	0.0605	0.0605
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0464	0.0605	0.0815
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0442	0.0572	0.0566
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0118	0.0083	0.0079
Trichomonas vaginalis	PIKK family atypical protein kinase	0.569	0.8508	0.8507
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0442	0.0572	0.0566
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0464	0.0605	0.0599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5321	0.7949	0.7947
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0987	0.1397	0.1391
Echinococcus multilocularis	serine protein kinase ATM	0.1283	0.1844	0.1839
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4978	0.7431	0.7429
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3627	0.5388	0.5385
Loa Loa (eye worm)	hypothetical protein	0.0841	0.1176	0.1176
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3627	0.5388	0.5385
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0726	0.1002	0.0995
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.1283	0.1844	0.1839
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6677	1	1
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0442	0.0572	0.0572
Schistosoma mansoni	immunophilin	0.0118	0.0083	0.0076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4978	0.7431	0.7429
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0442	0.0572	0.0566
Loa Loa (eye worm)	FKBP5 protein	0.0118	0.0083	0.0083
Giardia lamblia	Hypothetical protein	0.0442	0.0572	0.0493
Loa Loa (eye worm)	hypothetical protein	0.0076	0.002	0.002
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0653	0.0891	0.0887
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0508	0.0672	0.0667
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0464	0.0605	0.0605
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0844	0.118	0.1174
Brugia malayi	FAT domain containing protein	0.0987	0.1397	0.1397
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3991	0.5939	0.5936
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0653	0.0891	0.0887
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0118	0.0083	0.0079
Plasmodium vivax	hypothetical protein, conserved	0.0442	0.0572	0.9368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3969	0.5906	0.5903
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0508	0.0672	0.0667
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0118	0.0083	0.0077
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0608	0.0824	0.0824
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0841	0.1176	0.117
Entamoeba histolytica	hypothetical protein	0.0442	0.0572	0.0572
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3621	0.538	0.5377
Trichomonas vaginalis	PIKK family atypical protein kinase	0.227	0.3337	0.3332
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.2326	0.3421	0.3421
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0118	0.0083	0.0083
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.1283	0.1844	0.1839
Entamoeba histolytica	protein kinase, putative	0.0068	0.0006	0.0006
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0442	0.0572	0.0566
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0532	0.0708	0.0708
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0234	0.0259	0.0252
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0118	0.0083	0.0077
Schistosoma mansoni	immunophilin	0.0102	0.0058	0.0052
Trichomonas vaginalis	conserved hypothetical protein	0.1429	0.2065	0.206
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0442	0.0572	0.9368
Loa Loa (eye worm)	hypothetical protein	0.0987	0.1397	0.1397
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.1283	0.1844	0.1841
Treponema pallidum	peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB)	0.0118	0.0083	0.5
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.6677	1	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.1283	0.1844	0.1841
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.2326	0.3421	0.3416
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0442	0.0572	0.0572
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.2326	0.3421	0.3416
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0464	0.0605	0.0601
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.1283	0.1844	0.1839
Loa Loa (eye worm)	phosphatidylinositol 3	0.0442	0.0572	0.0572
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.6677	1	1
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0464	0.0605	0.0605
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3621	0.538	0.5377
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3991	0.5939	0.5936
Loa Loa (eye worm)	phosphatidylinositol 3	0.0442	0.0572	0.0572
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0118	0.0083	0.0083
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0118	0.0083	0.5
Trypanosoma cruzi	target of rapamycin kinase 3	0.5326	0.7957	0.7956
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.1283	0.1844	0.1839
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0442	0.0572	0.9368
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0844	0.118	0.1174
Loa Loa (eye worm)	hypothetical protein	0.0576	0.0775	0.0775
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0508	0.0672	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0442	0.0572	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0007	0.0007
Leishmania major	phosphatidylinositol kinase, putative	0.0442	0.0572	0.0493
Giardia lamblia	GTOR	0.6677	1	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.6677	1	1
Loa Loa (eye worm)	hypothetical protein	0.0203	0.0212	0.0212
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0442	0.0572	0.0566
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.5326	0.7957	0.794
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0118	0.0083	0.0077
Loa Loa (eye worm)	hypothetical protein	0.1283	0.1844	0.1844
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4978	0.7431	0.7429
Entamoeba histolytica	hypothetical protein	0.0442	0.0572	0.0572
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0219	0.0235	0.0229
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0464	0.0605	0.0605
Schistosoma mansoni	voltage-gated potassium channel	0.0256	0.0291	0.0284
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0653	0.0891	0.0885
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0442	0.0572	0.0572
Echinococcus multilocularis	fk506 binding protein	0.0118	0.0083	0.0076
Onchocerca volvulus		0.0442	0.0572	0.5
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.6677	1	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0841	0.1176	0.1172
Trichomonas vaginalis	PIKK family atypical protein kinase	0.227	0.3337	0.3332
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0442	0.0572	0.077
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0442	0.0572	0.0493
Echinococcus granulosus	serine protein kinase ATM	0.1283	0.1844	0.1839
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0442	0.0572	0.0568
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0508	0.0672	0.0667
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0464	0.0605	0.0599
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.6677	1	1
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0442	0.0572	0.9368
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.2786	0.4116	0.4112
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0464	0.0605	0.0599
Trichomonas vaginalis	PIKK family atypical protein kinase	0.227	0.3337	0.3332
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0442	0.0572	0.0566
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0118	0.0083	0.0083
Trichomonas vaginalis	conserved hypothetical protein	0.0841	0.1176	0.117
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0464	0.0605	0.0601
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6677	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.227	0.3337	0.3332
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0118	0.0083	0.0076
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4333	0.6456	0.6454
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0442	0.0572	0.0566
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0118	0.0083	0.0076
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0234	0.0259	0.0259
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0464	0.0605	0.0815
Leishmania major	phosphatidylinositol 3-kinase, putative	0.227	0.3337	0.3281
Entamoeba histolytica	hypothetical protein	0.0442	0.0572	0.0572
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0464	0.0605	0.0599
Entamoeba histolytica	protein kinase, putative	0.0068	0.0006	0.0006
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.6677	1	1
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0102	0.0058	0.0052
Loa Loa (eye worm)	phosphatidylinositol 3	0.2282	0.3355	0.3355
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0508	0.0672	0.0669
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.6677	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5321	0.7949	0.7947
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.315	0.4667	0.4663
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0464	0.0605	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0576	0.0775	0.0775
Brugia malayi	Protein kinase domain containing protein	0.0068	0.0006	0.0006
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0102	0.0058	0.0052
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0442	0.0572	0.0568
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1283	0.1844	0.1839
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.2282	0.3355	0.335
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3627	0.5388	0.5385
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0508	0.0672	0.0672
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1283	0.1844	0.1839
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0442	0.0572	0.5
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0442	0.0572	0.077
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0508	0.0672	0.0672
Loa Loa (eye worm)	phosphatidylinositol 3	0.6677	1	1
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0442	0.0572	0.0566
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0464	0.0605	0.0599
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0442	0.0572	0.0493
Entamoeba histolytica	hypothetical protein	0.0608	0.0824	0.0824
Trichomonas vaginalis	immunophilin, putative	0.0118	0.0083	0.0077
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0464	0.0605	0.06
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0442	0.0572	0.9368
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1283	0.1844	0.1844
Schistosoma mansoni	hypothetical protein	0.0442	0.0572	0.0566
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5321	0.7949	0.7947
Toxoplasma gondii	FATC domain-containing protein	0.1283	0.1844	0.2482
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0464	0.0605	1
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.5326	0.7957	0.7956
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0442	0.0572	0.0568
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0234	0.0259	0.0252
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2326	0.3421	0.3418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3991	0.5939	0.5936
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0234	0.0259	0.0259
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.6677	1	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0508	0.0672	0.0667
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0508	0.0672	0.0672
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0576	0.0775	0.0769
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.6677	1	1
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0442	0.0572	0.0566
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0118	0.0083	0.0076
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.2326	0.3421	0.3416
Trichomonas vaginalis	fk506-binding protein, putative	0.0118	0.0083	0.0077
Leishmania major	hypothetical protein, conserved	0.0543	0.0725	0.0647
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0464	0.0605	0.06
Loa Loa (eye worm)	phosphatidylinositol 3	0.0066	0.0004	0.0004
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.2326	0.3421	0.3418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5321	0.7949	0.7947
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0442	0.0572	0.0572
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.227	0.3337	0.3332
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0442	0.0572	0.0493
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0464	0.0605	0.06
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0464	0.0605	0.06
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4978	0.7431	0.7429
Echinococcus multilocularis		0.0442	0.0572	0.0566
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0442	0.0572	0.0568
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4978	0.7431	0.7429
Toxoplasma gondii	target of rapamycin (TOR), putative	0.4978	0.7431	1
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0442	0.0572	0.0566
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0118	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.1429	0.2065	0.2065
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.6677	1	1
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0068	0.0006	0.0006
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0442	0.0572	0.077
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0653	0.0891	0.0891
Schistosoma mansoni	immunophilin	0.0118	0.0083	0.0076
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0442	0.0572	0.0566
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0653	0.0891	0.0885
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0118	0.0083	0.0079
Trichomonas vaginalis	PIKK family atypical protein kinase	0.6677	1	1
Schistosoma mansoni	hypothetical protein	0.0987	0.1397	0.1391
Leishmania major	hypothetical protein, unknown function	0.0442	0.0572	0.0493
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.1429	0.2065	0.2779
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1295	0.1862	0.1857
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0442	0.0572	0.0566
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0653	0.0891	0.0885
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0442	0.0572	0.0566
Trichomonas vaginalis	conserved hypothetical protein	0.0987	0.1397	0.1391
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0219	0.0235	0.0229
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4479	0.6677	0.6675
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4978	0.7431	0.7429
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0442	0.0572	0.0566
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0442	0.0572	0.0568
Trichomonas vaginalis	PIKK family atypical protein kinase	0.4978	0.7431	0.7429
Entamoeba histolytica	protein kinase rad3, putative	0.1283	0.1844	0.1844
Echinococcus multilocularis	Zinc finger, PHD finger	0.0464	0.0605	0.0599
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0726	0.1002	0.0995
Entamoeba histolytica	hypothetical protein	0.1283	0.1844	0.1844
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0118	0.0083	0.0079
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.054	0.0721	0.0643
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0191	0.0193	0.0193
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0576	0.0775	0.0769
Plasmodium vivax	hypothetical protein	0.0442	0.0572	0.9368
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3621	0.538	0.5377
Trichomonas vaginalis	PIKK family atypical protein kinase	0.3627	0.5388	0.5385
Trichomonas vaginalis	PIKK family atypical protein kinase	0.5321	0.7949	0.7947
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0442	0.0572	0.9368
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.0211	0.0223	0.0223
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0442	0.0572	0.0572
Trichomonas vaginalis	PIKK family atypical protein kinase	0.2282	0.3355	0.335
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1283	0.1844	0.1844
Mycobacterium leprae	conserved hypothetical protein	0.0442	0.0572	0.5
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0068	0.0007	0.0007
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0585	0.0788	0.0782
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0118	0.0083	0.0083
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0987	0.1397	0.1391
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.1295	0.1862	0.1862
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0118	0.0083	0.0076
Loa Loa (eye worm)	phosphatidylinositol 3	0.0442	0.0572	0.0572
Loa Loa (eye worm)	hypothetical protein	0.0102	0.0058	0.0058

Activities

Activity type	Activity value	Assay description	Source	Reference
CLH (ADMET)	= 63 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)	> 5.5	Agonist activity at human S1P3R expressed in HEK293T cells by Ca(2+) mobilization assay	ChEMBL.	22386243
EC50 (functional)	= 8.9	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.

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External resources for this compound

ChEMBL: CHEMBL2011739

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1635424