TDR Targets

Basic information

Technical information

TDR Targets ID: 1270194
Name: 3,5-bis[(4-methoxyphenyl)methyl]-1,3,5-thiadi azinane-2-thione
MW: 374.52 | Formula: C19H22N2O2S2
H donors: 0 H acceptors: 0 LogP: 4.2 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)CN1CSC(=S)N(C1)Cc1ccc(cc1)OC
InChi: 1S/C19H22N2O2S2/c1-22-17-7-3-15(4-8-17)11-20-13-21(19(24)25-14-20)12-16-5-9-18(23-2)10-6-16/h3-10H,11-14H2,1-2H3
InChiKey: WFLVKCLJXXUYGU-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

3,5-bis(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione
3,5-di(4-methoxybenzyl)-1,3,5-thiadiazinane-2-thione
MLS000861906
SMR000460690
Oprea1_099401

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	neuropeptide S receptor 1	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	IPR000276,Rhodopsin-like GPCR superfamily,domain-containing	Get druggable targets OG5_136011	All targets in OG5_136011
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus granulosus	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	neuropeptide s receptor	Get druggable targets OG5_136011	All targets in OG5_136011
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	neuropeptide receptor A26	Get druggable targets OG5_136011	All targets in OG5_136011
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.01	0.0323	0.1389
Leishmania major	hypothetical protein, unknown function	0.0084	0.0247	0.0525
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0054	0.0051
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0438	0.1915	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0258	0.1109
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0084	0.0247	0.0507
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0084	0.0247	0.1199
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0084	0.0247	0.0637
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0438	0.1915	0.5098
Onchocerca volvulus		0.005	0.0084	0.0681
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0197	0.0778	0.3346
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0438	0.1915	0.1913
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0084	0.0247	0.1034
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0051	0.0089	0.0717
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0844	0.3831	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0844	0.3831	1
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0084	0.0247	0.1034
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.005	0.0084	0.0213
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0163	0.0617	0.2633
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Plasmodium vivax	hypothetical protein	0.0084	0.0247	1
Schistosoma mansoni	hypothetical protein	0.0205	0.0815	0.2121
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0084	0.0247	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0084	0.0247	0.0637
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0365	0.1572	0.6686
Loa Loa (eye worm)	phosphatidylinositol 3	0.0084	0.0247	0.1061
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0844	0.3831	0.3829
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0084	0.0247	0.0844
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0191	0.075	0.0747
Schistosoma mansoni	alpha-glucosidase	0.0169	0.0648	0.1686
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0438	0.1915	0.8199
Loa Loa (eye worm)	hypothetical protein	0.006	0.0133	0.0573
Echinococcus granulosus	neutral alpha glucosidase AB	0.0044	0.0055	0.0052
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0084	0.0247	0.0844
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.1515	0.6507
Loa Loa (eye worm)	hypothetical protein	0.0191	0.075	0.3227
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0438	0.1915	0.4996
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.1515	0.6507
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0084	0.0247	0.1035
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.1515	0.6507
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0084	0.0247	0.0507
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0133	0.0341
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0084	0.0247	0.0525
Trichomonas vaginalis	conserved hypothetical protein	0.0163	0.0617	0.2633
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0084	0.0247	0.1034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0247	0.1014	0.4349
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0072	0.0308
Echinococcus multilocularis		0.0084	0.0247	0.0244
Onchocerca volvulus		0.0084	0.0247	0.2039
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0043	0.0106
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0529	0.2278
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0084	0.0247	0.0637
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0524	0.2324	1
Schistosoma mansoni	hypothetical protein	0.0205	0.0815	0.2121
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0054	0.0134
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0133	0.0573
Schistosoma mansoni	hypothetical protein	0.0043	0.0054	0.0134
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0084	0.0247	0.0507
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.2151	1	1
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0084	0.0247	0.0244
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0084	0.0247	0.0244
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0438	0.1915	0.1913
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0191	0.075	0.0747
Trichomonas vaginalis	conserved hypothetical protein	0.0191	0.075	0.3208
Echinococcus multilocularis	neuropeptide receptor A26	0.0558	0.2484	0.2482
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0438	0.1915	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0084	0.0247	0.1199
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0084	0.0247	0.0244
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0202	0.0804	0.1984
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0438	0.1915	0.5098
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0084	0.0247	0.1035
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0529	0.2278
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0047	0.0072	0.0576
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0438	0.1915	0.4927
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0084	0.0247	0.0507
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0084	0.0247	0.0637
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0084	0.0247	0.0507
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0084	0.0247	0.0244
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0044	0.0055	0.0209
Brugia malayi	MH2 domain containing protein	0.0144	0.0529	0.1376
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.01	0.0323	0.0836
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0084	0.0247	0.0507
Leishmania major	phosphatidylinositol kinase, putative	0.0084	0.0247	0.0525
Entamoeba histolytica	protein kinase rad3, putative	0.0247	0.1014	0.516
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0084	0.0247	0.1035
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0013	0.001
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0084	0.0247	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0247	0.1014	0.4349
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0084	0.0247	0.0244
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0084	0.0247	0.0244
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0084	0.0247	0.1035
Leishmania major	hypothetical protein, conserved	0.0817	0.3704	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0055	0.0209
Giardia lamblia	GTOR	0.0438	0.1915	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0019	0.0043
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0334	0.1423	0.7355
Echinococcus multilocularis	chromobox protein 1	0.0084	0.0246	0.0243
Loa Loa (eye worm)	phosphatidylinositol 3	0.0084	0.0247	0.1061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0247	0.1014	0.4349
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0246	0.1033
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0365	0.1572	0.4099
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0084	0.0247	0.1034
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.3781	0.378
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0084	0.0247	0.5
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.1199	0.5145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0084	0.0247	0.0507
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0084	0.0247	0.1199
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.1515	0.6507
Entamoeba histolytica	hypothetical protein	0.0084	0.0247	0.1034
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0202	0.0804	0.2053
Schistosoma mansoni	chromobox protein	0.0084	0.0246	0.0636
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.0778	0.0775
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.1515	0.6507
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0247	0.1014	0.4349
Schistosoma mansoni	alpha-glucosidase	0.0169	0.0648	0.1686
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0438	0.1915	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0019	0.0043
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.1515	0.7847
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0084	0.0247	0.1035
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0019	0.0016
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0084	0.0247	0.0844
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Echinococcus multilocularis	chromobox protein 1	0.0084	0.0246	0.0243
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0043	0.0186
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0084	0.0247	0.0244
Echinococcus granulosus	chromobox protein 1	0.0084	0.0246	0.0243
Echinococcus granulosus	geminin	0.0205	0.0815	0.0812
Loa Loa (eye worm)	hypothetical protein	0.0281	0.1174	0.5054
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0365	0.1572	0.6755
Loa Loa (eye worm)	heterochromatin protein 1	0.0084	0.0246	0.1059
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0024	0.0102
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0084	0.0247	0.1034
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0084	0.0247	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0084	0.0247	0.0637
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0072	0.028
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0084	0.0247	0.1034
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0044	0.0055	0.0209
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0438	0.1915	0.4927
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0044	0.0055	0.0209
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Entamoeba histolytica	hypothetical protein	0.0084	0.0247	0.1034
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0072	0.028
Entamoeba histolytica	hypothetical protein	0.0365	0.1572	0.8155
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0247	0.1014	0.2541
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0084	0.0247	0.0244
Loa Loa (eye worm)	hypothetical protein	0.0275	0.1148	0.4938
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0044	0.0055	0.0189
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0084	0.0247	0.0507
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0247	0.1014	0.2643
Echinococcus multilocularis	serine protein kinase ATM	0.0365	0.1572	0.157
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0055	0.0005
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0044	0.0055	0.0005
Onchocerca volvulus		0.0182	0.071	0.5914
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0055	0.0209
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0844	0.3831	1
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.0663	0.5
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.0663	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0438	0.1915	0.5098
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0524	0.2324	1
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0258	0.1109
Onchocerca volvulus		0.0114	0.0386	0.3204
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0084	0.0247	0.1035
Echinococcus multilocularis	Zinc finger, PHD finger	0.0084	0.0247	0.0244
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0084	0.0247	0.1061
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0247	0.1014	0.1012
Brugia malayi	Heterochromatin protein 1	0.0084	0.0246	0.0636
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0019	0.0083
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0365	0.1572	0.4099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.1035	0.4454
Entamoeba histolytica	hypothetical protein	0.0084	0.0247	0.1034
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0334	0.1423	0.6112
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Echinococcus multilocularis	L aminoadipate semialdehyde	0.01	0.0323	0.032
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0084	0.0247	0.1035
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0247	0.1014	0.1012
Plasmodium vivax	hypothetical protein, conserved	0.0084	0.0247	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0197	0.0778	0.2024
Loa Loa (eye worm)	phosphatidylinositol 3	0.0084	0.0247	0.1061
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0084	0.0247	0.1035
Schistosoma mansoni	hypothetical protein	0.0084	0.0247	0.0637
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.1515	0.6507
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0438	0.1915	0.4996
Loa Loa (eye worm)	hypothetical protein	0.0247	0.1014	0.4365
Echinococcus multilocularis	neuropeptide s receptor	0.0558	0.2484	0.2482
Onchocerca volvulus		0.0037	0.0024	0.0174
Trichomonas vaginalis	chromobox protein, putative	0.0084	0.0246	0.1033
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0247	0.1061
Schistosoma mansoni	hypothetical protein	0.0191	0.075	0.1952
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0084	0.0247	0.1034
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0084	0.0247	0.1035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0084	0.0247	0.0507
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0084	0.0247	0.1035
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0247	0.1014	0.2643
Brugia malayi	Pre-SET motif family protein	0.0251	0.1035	0.2697
Onchocerca volvulus		0.0286	0.1199	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0275	0.1148	0.4815
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0084	0.0247	0.0637
Schistosoma mansoni	alpha glucosidase	0.0044	0.0055	0.0137
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0247	0.1014	0.4349
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0089	0.0353
Schistosoma mansoni	chromobox protein	0.0084	0.0246	0.0636
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0084	0.0247	0.1199
Loa Loa (eye worm)	phosphatidylinositol 3	0.0084	0.0247	0.1061
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0084	0.0247	0.0525
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0197	0.0778	0.0775
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0003	0.0012
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0133	0.0341
Toxoplasma gondii	FATC domain-containing protein	0.0365	0.1572	0.8189
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0438	0.1915	0.8199
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0084	0.0247	0.0637
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0438	0.1915	0.8199
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.1515	0.5
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0084	0.0247	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0844	0.3831	0.3829
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0365	0.1572	0.4017
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0084	0.0247	0.0637
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0084	0.0247	0.0844
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0438	0.1915	0.5098
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.1515	0.7598
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0084	0.0247	0.0637
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0055	0.0209
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0281	0.1174	0.2965
Brugia malayi	hypothetical protein	0.0043	0.0054	0.0134
Loa Loa (eye worm)	phosphatidylinositol 3	0.0084	0.0247	0.1061
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0019	0.0016
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0019	0.0043
Echinococcus granulosus	neuropeptide receptor A26	0.0558	0.2484	0.2482
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0172	0.0663	1
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0084	0.0247	0.1035
Loa Loa (eye worm)	hypothetical protein	0.0182	0.071	0.3056
Trypanosoma cruzi	target of rapamycin kinase 3	0.0438	0.1915	0.4927
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.1515	0.6507
Echinococcus granulosus	serine protein kinase ATM	0.0365	0.1572	0.157
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0275	0.1148	0.5951
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0084	0.0247	0.0637
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0084	0.0247	0.0244
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0084	0.0247	0.1034
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0003	0.0012
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0524	0.2324	0.6217
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.3781	0.378
Echinococcus granulosus	chromobox protein 1	0.0084	0.0246	0.0243
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0003	0.0012
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0019	0.0016
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0084	0.0247	0.0637
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0084	0.0247	0.1035
Echinococcus multilocularis	geminin	0.0205	0.0815	0.0812
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0247	0.1061
Echinococcus granulosus	lysosomal alpha glucosidase	0.0197	0.0778	0.0775
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0044	0.0055	0.0052
Echinococcus granulosus	neuropeptide s receptor	0.0558	0.2484	0.2482
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0084	0.0247	0.1061
Loa Loa (eye worm)	phosphatidylinositol 3	0.0524	0.2324	1
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0084	0.0247	0.0637
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0084	0.0247	0.0844
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.1515	0.6507
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0084	0.0247	0.1035
Entamoeba histolytica	hypothetical protein	0.0084	0.0247	0.1034
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0055	0.0209
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0084	0.0247	0.1035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0247	0.1014	0.4349
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0084	0.0247	0.0244
Onchocerca volvulus		0.0084	0.0247	0.2039
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0084	0.0247	0.1199
Echinococcus granulosus	L aminoadipate semialdehyde	0.01	0.0323	0.032
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0044	0.0055	0.0137
Brugia malayi	Pre-SET motif family protein	0.0036	0.0019	0.0043
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0084	0.0247	0.0525
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0084	0.0247	0.0244
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0084	0.0247	0.5
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.1515	0.7847
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.3781	0.9871
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0084	0.0247	0.0637
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0044	0.0055	0.0237
Brugia malayi	chromobox protein homolog 3	0.0047	0.0072	0.018
Trichomonas vaginalis	conserved hypothetical protein	0.0275	0.1148	0.4923
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0084	0.0247	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0438	0.1915	0.8242
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.01	0.0323	0.0836
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0438	0.1915	0.8237
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0084	0.0247	0.0244
Brugia malayi	FAT domain containing protein	0.0191	0.075	0.1952
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0055	0.0209
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0844	0.3831	1
Trichomonas vaginalis	chromobox protein, putative	0.0051	0.0089	0.0353
Onchocerca volvulus		0.01	0.0323	0.2676
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0275	0.1148	0.4923
Trypanosoma cruzi	hypothetical protein, conserved	0.0733	0.3307	0.8612
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0438	0.1915	0.8199
Trichomonas vaginalis	alpha-glucosidase, putative	0.0044	0.0055	0.0209
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0084	0.0247	0.0637
Brugia malayi	hypothetical protein	0.0182	0.071	0.1848
Schistosoma mansoni	hypothetical protein	0.0041	0.0043	0.0106
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0054	0.0051
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0084	0.0247	0.1035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0084	0.0247	0.1035

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.1623 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.8584 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 6.3096 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	6.3096 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	11.6891 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	ChEMBL23

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: CHEMBL1362818

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1270194