TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 342.369 | Formula: C17H14N2O4S
H donors: 2 H acceptors: 4 LogP: 2.44 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)/C=C/c1cccc2c1n(cc2)S(=O)(=O)c1ccccc1
InChi: 1S/C17H14N2O4S/c20-16(18-21)10-9-13-5-4-6-14-11-12-19(17(13)14)24(22,23)15-7-2-1-3-8-15/h1-12,21H,(H,18,20)/b10-9+
InChiKey: RSEZOFMXXNCCPB-MDZDMXLPSA-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	histone deacetylase 9	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	histone deacetylase 4 5	Get druggable targets OG5_126654	All targets in OG5_126654
Theileria parva	hypothetical protein	Get druggable targets OG5_126654	All targets in OG5_126654
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_126654	All targets in OG5_126654
Schistosoma japonicum	IPR000286,Histone deacetylase superfamily;IPR013838,Beta tubulin, autoregulation binding site,domain-containing	Get druggable targets OG5_126654	All targets in OG5_126654
Echinococcus multilocularis	histone deacetylase 6	Get druggable targets OG5_126654	All targets in OG5_126654
Brugia malayi	Histone deacetylase family protein	Get druggable targets OG5_126654	All targets in OG5_126654
Trypanosoma brucei	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Loa Loa (eye worm)	histone deacetylase 7A	Get druggable targets OG5_126654	All targets in OG5_126654
Echinococcus granulosus	histone deacetylase 7	Get druggable targets OG5_126654	All targets in OG5_126654
Leishmania donovani	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Cryptosporidium parvum	histone deactylase of possible bacterial origin with ankyrin repeats at the N-terminus	Get druggable targets OG5_126654	All targets in OG5_126654
Theileria parva	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Leishmania major	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Leishmania infantum	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Neospora caninum	hypothetical protein	Get druggable targets OG5_126654	All targets in OG5_126654
Echinococcus multilocularis	histone deacetylase 6	Get druggable targets OG5_126654	All targets in OG5_126654
Echinococcus multilocularis	histone deacetylase 6	Get druggable targets OG5_126654	All targets in OG5_126654
Schistosoma japonicum	Histone deacetylase 4, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Trypanosoma cruzi	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Schistosoma japonicum	Histone deacetylase 4, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126654	All targets in OG5_126654
Trypanosoma congolense	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Trypanosoma brucei	histone deacetylase 3	Get druggable targets OG5_126654	All targets in OG5_126654
Schistosoma mansoni	histone deacetylase 4 5	Get druggable targets OG5_126654	All targets in OG5_126654
Leishmania major	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Leishmania mexicana	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Plasmodium falciparum	histone deacetylase 2	Get druggable targets OG5_126654	All targets in OG5_126654
Leishmania braziliensis	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Candida albicans	strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit	Get druggable targets OG5_126654	All targets in OG5_126654
Plasmodium berghei	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Echinococcus granulosus	histone deacetylase 6	Get druggable targets OG5_126654	All targets in OG5_126654
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_126654	All targets in OG5_126654
Echinococcus granulosus	histone deacetylase	Get druggable targets OG5_126654	All targets in OG5_126654
Brugia malayi	Histone deacetylase family protein	Get druggable targets OG5_126654	All targets in OG5_126654
Theileria parva	hypothetical protein	Get druggable targets OG5_126654	All targets in OG5_126654
Plasmodium knowlesi	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Trypanosoma brucei	histone deacetylase 4	Get druggable targets OG5_126654	All targets in OG5_126654
Echinococcus multilocularis	histone deacetylase	Get druggable targets OG5_126654	All targets in OG5_126654
Echinococcus multilocularis	histone deacetylase 7	Get druggable targets OG5_126654	All targets in OG5_126654
Plasmodium yoelii	Histone deacetylase family, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Leishmania infantum	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Plasmodium berghei	histone deacetylase 2, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Echinococcus granulosus	histone deacetylase 6	Get druggable targets OG5_126654	All targets in OG5_126654
Candida albicans	strong similarity to S. cerevisiae HDA1 (YNL021W) class II histone deacetylase HDA1 complex subunit	Get druggable targets OG5_126654	All targets in OG5_126654
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_126654	All targets in OG5_126654
Schistosoma japonicum	Histone deacetylase 6, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Trypanosoma cruzi	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Leishmania mexicana	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Trypanosoma cruzi	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Schistosoma japonicum	Histone deacetylase 6, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Trypanosoma brucei gambiense	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Trypanosoma congolense	histone deacetylase 4	Get druggable targets OG5_126654	All targets in OG5_126654
Schistosoma japonicum	Histone deacetylase 10, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126654	All targets in OG5_126654
Echinococcus granulosus	histone deacetylase 6	Get druggable targets OG5_126654	All targets in OG5_126654
Trypanosoma congolense	histone deacetylase 4	Get druggable targets OG5_126654	All targets in OG5_126654
Leishmania donovani	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Loa Loa (eye worm)	histone deacetylase	Get druggable targets OG5_126654	All targets in OG5_126654
Plasmodium vivax	histone deacetylase 2, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Plasmodium knowlesi	histone deacetylase 2, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Toxoplasma gondii	histone deacetylase HDAC1	Get druggable targets OG5_126654	All targets in OG5_126654
Schistosoma mansoni	histone deacetylase hda2	Get druggable targets OG5_126654	All targets in OG5_126654
Leishmania braziliensis	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Babesia bovis	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Plasmodium falciparum	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Plasmodium vivax	histone deacetylase, putative	Get druggable targets OG5_126654	All targets in OG5_126654
Schistosoma japonicum	Histone deacetylase 10, putative	Get druggable targets OG5_126654	All targets in OG5_126654

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
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0068	0.1954	0.4053
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0032	0.0194	0.0403
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.6683	0.7222
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0408	0.0441
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0408	0.0846
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0408	0.0441
Echinococcus granulosus	histone deacetylase 7	0.0051	0.1138	0.123
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0086	0.284	0.5889
Schistosoma mansoni	adenosylhomocysteinase	0.0078	0.2461	0.2659
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0408	0.0441
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0056	0.1382	0.2865
Plasmodium falciparum	adenosine deaminase	0.0086	0.284	0.5889
Schistosoma mansoni	alpha glucosidase	0.0036	0.0415	0.0449
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0216	0.9253	1
Leishmania major	hypothetical protein, conserved	0.0032	0.0194	0.0403
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0032	0.0194	0.0403
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0068	0.1954	0.4053
Mycobacterium tuberculosis	Probable adenosylhomocysteinase SahH (S-adenosyl-L-homocysteine hydrolase) (adohcyase)	0.0126	0.4822	0.4719
Onchocerca volvulus		0.0216	0.9253	1
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0415	0.0478
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0052	0.1163	0.2411
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0052	0.1163	0.1256
Leishmania major	S-adenosylhomocysteine hydrolase	0.0126	0.4822	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0032	0.0194	0.0403
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0052	0.1163	0.1256
Entamoeba histolytica	hypothetical protein	0.0032	0.0194	0.0403
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0408	0.0441
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0032	0.0194	0.021
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0032	0.0194	0.021
Brugia malayi	Histone deacetylase family protein	0.0051	0.1138	0.123
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0408	0.0218
Brugia malayi	Adenosylhomocysteinase	0.0126	0.4822	0.5211
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0415	0.0861
Trypanosoma cruzi	histone deacetylase, putative	0.0051	0.1138	0.236
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0032	0.0194	0.021
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0408	0.0441
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0032	0.0194	0.021
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0032	0.0194	0.0403
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0408	0.0846
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0032	0.0194	0.0403
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0408	0.0462
Trypanosoma brucei	histone deacetylase 4	0.0051	0.1138	0.236
Echinococcus multilocularis	histone deacetylase 6	0.0051	0.1138	0.123
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0056	0.1382	0.2865
Loa Loa (eye worm)	phosphatidylinositol 3	0.0216	0.9253	1
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0216	0.9253	1
Mycobacterium leprae	Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE)	0.0086	0.284	0.5716
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0032	0.0194	0.0403
Echinococcus granulosus	serine protein kinase ATM	0.0032	0.0194	0.021
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0408	0.0218
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0032	0.0194	0.0403
Toxoplasma gondii	ABC1 family protein	0.0036	0.0408	0.0846
Schistosoma mansoni	adenosylhomocysteinase	0.0078	0.2461	0.2659
Schistosoma mansoni	adenosine deaminase	0.0086	0.284	0.3069
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0052	0.1163	0.2411
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0068	0.1954	0.3803
Schistosoma mansoni	adenosine deaminase-related	0.0086	0.284	0.3069
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0874	0.0945
Mycobacterium tuberculosis	Probable adenosine deaminase Add (adenosine aminohydrolase)	0.0086	0.284	0.2698
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0032	0.0194	0.0403
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0068	0.1954	0.2112
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0052	0.1163	0.2411
Echinococcus multilocularis		0.0056	0.1382	0.1493
Schistosoma mansoni	hypothetical protein	0.0032	0.0194	0.021
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0032	0.0194	0.021
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0052	0.1163	0.2411
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0408	0.0218
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0052	0.1163	0.2092
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1138	0.123
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0408	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1163	0.1256
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0052	0.1163	0.2092
Mycobacterium leprae	putative S-adenosyl-L-homocysteine hydrolase SahH	0.0126	0.4822	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0408	0.0462
Leishmania major	alpha glucosidase II subunit, putative	0.0036	0.0415	0.0861
Loa Loa (eye worm)	phosphatidylinositol 3	0.0032	0.0194	0.021
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0032	0.0194	0.021
Loa Loa (eye worm)	histone deacetylase	0.0051	0.1138	0.123
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0194	0.021
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0408	0.0441
Entamoeba histolytica	adenosine deaminase, putative	0.0086	0.284	0.5889
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0056	0.1382	0.1493
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0032	0.0194	0.0403
Entamoeba histolytica	protein kinase rad3, putative	0.0032	0.0194	0.0403
Echinococcus multilocularis	histone deacetylase 6	0.0051	0.1138	0.123
Brugia malayi	beta-lactamase family protein	0.0036	0.0408	0.0441
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0052	0.1163	0.2092
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0408	0.0441
Schistosoma mansoni	adenosylhomocysteinase	0.0126	0.4822	0.5211
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0068	0.1954	0.2112
Echinococcus granulosus	histone deacetylase 6	0.0051	0.1138	0.123
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0408	0.0441
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0032	0.0194	0.0403
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0052	0.1163	0.2092
Leishmania major	adenine aminohydrolase	0.0086	0.284	0.5889
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0164	0.6683	0.7222
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0048	0.0986	0.2045
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0032	0.0194	0.0403
Plasmodium vivax	hypothetical protein	0.0032	0.0194	0.0403
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.4491	0.4853
Plasmodium falciparum	histone deacetylase, putative	0.0051	0.1138	0.236
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0052	0.1163	0.2411
Plasmodium vivax	phosphatidylinositol 3- and 4-kinase, putative	0.0032	0.0194	0.0403
Echinococcus granulosus	adenosine deaminase	0.0086	0.284	0.3069
Echinococcus granulosus	neutral alpha glucosidase AB	0.0036	0.0415	0.0449
Trypanosoma cruzi	phosphatidylinositol kinase, putative	0.0032	0.0194	0.0403
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0408	0.0462
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0164	0.6683	0.7222
Echinococcus multilocularis	Phosphatidylinositol 4 kinase type 2 beta	0.0216	0.9253	1
Echinococcus granulosus	Phosphatidylinositol 4 kinase type 2 beta	0.0216	0.9253	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.4491	0.4853
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0415	0.0861
Plasmodium vivax	histone deacetylase 2, putative	0.0051	0.1138	0.236
Echinococcus multilocularis	adenosine deaminase	0.0086	0.284	0.3069
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0408	0.0218
Trypanosoma cruzi	histone deacetylase, putative	0.0051	0.1138	0.236
Brugia malayi	beta-lactamase family protein	0.0036	0.0408	0.0441
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0052	0.1163	0.1256
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0052	0.1163	0.2411
Trypanosoma brucei	histone deacetylase 3	0.0051	0.1138	0.236
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0408	0.0462
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0036	0.0415	0.0449
Loa Loa (eye worm)	phosphatidylinositol 3	0.0032	0.0194	0.021
Entamoeba histolytica	phosphatidylinositol 3-kinase 3, putative	0.0032	0.0194	0.0403
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0052	0.1163	0.2092
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0036	0.0415	0.0861
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0032	0.0194	0.0403
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0068	0.1954	0.2112
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0056	0.1382	0.2865
Plasmodium falciparum	adenosylhomocysteinase	0.0126	0.4822	1
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0408	0.0462
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0032	0.0194	0.0403
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0052	0.1163	0.1256
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0052	0.1163	0.1256
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.0052	0.1163	0.1256
Trichomonas vaginalis	adenosine deaminase, putative	0.0086	0.284	0.5716
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0408	0.0462
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0032	0.0194	0.0403
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0032	0.0194	0.021
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1138	0.123
Mycobacterium ulcerans	S-adenosyl-L-homocysteine hydrolase	0.0126	0.4822	1
Trypanosoma brucei	glucosidase, putative	0.0036	0.0415	0.0861
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0408	0.0218
Loa Loa (eye worm)	phosphatidylinositol 3	0.0056	0.1382	0.1493
Entamoeba histolytica	hypothetical protein	0.0032	0.0194	0.0403
Plasmodium vivax	histone deacetylase, putative	0.0051	0.1138	0.236
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0036	0.0415	0.0861
Toxoplasma gondii	histone deacetylase HDAC1	0.0051	0.1138	0.236
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0052	0.1163	0.2092
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0164	0.6683	0.7222
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0415	0.0478
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0408	0.0218
Trypanosoma cruzi	histone deacetylase, putative	0.0051	0.1138	0.236
Schistosoma mansoni	histone deacetylase 4 5	0.0051	0.1138	0.123
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0032	0.0194	0.021
Mycobacterium ulcerans	adenosine deaminase	0.0086	0.284	0.5509
Echinococcus multilocularis	histone deacetylase 7	0.0051	0.1138	0.123
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0415	0.0861
Toxoplasma gondii	adenosylhomocysteinase, putative	0.0126	0.4822	1
Onchocerca volvulus		0.0216	0.9253	1
Loa Loa (eye worm)	hypothetical protein	0.0086	0.284	0.3069
Echinococcus granulosus	DNA dependent protein kinase catalytic subunit	0.0032	0.0194	0.021
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0068	0.1954	0.2112
Loa Loa (eye worm)	hypothetical protein	0.0216	0.9253	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0408	0.0462
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0408	0.0218
Brugia malayi	Adenosine/AMP deaminase family protein	0.0086	0.284	0.3069
Loa Loa (eye worm)	histone deacetylase 7A	0.0051	0.1138	0.123
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0032	0.0194	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1468	0.1586
Onchocerca volvulus		0.0036	0.0408	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0194	0.021
Entamoeba histolytica	adenosine deaminase, putative	0.0086	0.284	0.5889
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0052	0.1163	0.2411
Trichomonas vaginalis	esterase, putative	0.0036	0.0408	0.0462
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	0.0086	0.284	0.5889
Plasmodium vivax	adenosylhomocysteinase(S-adenosyl-L-homocystein e hydrolase), putative	0.0126	0.4822	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0032	0.0194	0.021
Leishmania major	histone deacetylase, putative	0.0051	0.1138	0.236
Leishmania major	phosphatidylinositol kinase, putative	0.0032	0.0194	0.0403
Trichomonas vaginalis	adenosine deaminase, putative	0.0086	0.284	0.5716
Schistosoma mansoni	phosphatidylinositol 3-kinase class	0.0032	0.0194	0.021
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0052	0.1163	0.1256
Echinococcus granulosus	adenosylhomocysteinase	0.0126	0.4822	0.5211
Brugia malayi	beta-lactamase	0.0036	0.0408	0.0441
Echinococcus granulosus	phosphatidylinositol 4 kinase beta	0.0056	0.1382	0.1493
Entamoeba histolytica	hypothetical protein	0.0032	0.0194	0.0403
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0408	0.0441
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0216	0.9253	1
Onchocerca volvulus		0.0095	0.3287	0.3552
Schistosoma mansoni	adenosylhomocysteinase	0.0078	0.2461	0.2659
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0056	0.1382	0.1493
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0032	0.0194	0.0403
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0032	0.0194	0.021
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1468	0.1586
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0408	0.0441
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0032	0.0194	0.021
Echinococcus multilocularis	Zinc finger, PHD finger	0.0052	0.1163	0.1256
Plasmodium falciparum	phosphatidylinositol 4-kinase	0.0056	0.1382	0.2865
Plasmodium falciparum	histone deacetylase 2	0.0051	0.1138	0.236
Trypanosoma brucei	S-adenosylhomocysteine hydrolase, putative	0.0126	0.4822	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0408	0.0441
Trypanosoma cruzi	phosphatidylinositol 4-kinase, putative	0.0056	0.1382	0.2865
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0032	0.0194	0.0403
Echinococcus multilocularis	serine protein kinase ATM	0.0032	0.0194	0.021
Echinococcus granulosus	histone deacetylase 6	0.0051	0.1138	0.123
Brugia malayi	MH2 domain containing protein	0.0119	0.4491	0.4853
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0874	0.0945
Treponema pallidum	adenosine deaminase	0.0086	0.284	0.5
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0032	0.0194	0.0403
Plasmodium vivax	phosphatidylinositol 4-kinase, putative	0.0032	0.0194	0.0403
Schistosoma mansoni	histone deacetylase 4 5	0.0051	0.1138	0.123
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0068	0.1954	0.4053
Echinococcus multilocularis	histone deacetylase 6	0.0051	0.1138	0.123
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0874	0.0945
Brugia malayi	Histone deacetylase family protein	0.0051	0.1138	0.123
Leishmania major	histone deacetylase, putative	0.0051	0.1138	0.236
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0032	0.0194	0.0403
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0032	0.0194	0.021
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0052	0.1163	0.2092
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0052	0.1163	0.8155
Giardia lamblia	Phosphatidylinositol 4-kinase	0.0056	0.1382	1
Onchocerca volvulus	Adenosine deaminase homolog	0.0086	0.284	0.3069
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0415	0.0478
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0068	0.1954	0.4053
Loa Loa (eye worm)	phosphatidylinositol kinase	0.0216	0.9253	1
Onchocerca volvulus		0.0036	0.0408	0.0441
Echinococcus granulosus	histone deacetylase 6	0.0051	0.1138	0.123
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0036	0.0415	0.0449
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0408	0.0441
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0032	0.0194	0.0403
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0032	0.0194	0.0403
Echinococcus granulosus	lysosomal alpha glucosidase	0.0164	0.6683	0.7222
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0126	0.4822	1
Schistosoma mansoni	phosphatidylinositol 4-kinase type-II	0.0216	0.9253	1
Schistosoma mansoni	histone deacetylase hda2	0.0051	0.1138	0.123
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0068	0.1954	0.3803
Leishmania major	hypothetical protein, conserved	0.0036	0.0408	0.0846
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0408	0.0218
Loa Loa (eye worm)	adenosylhomocysteinase	0.0126	0.4822	0.5211
Echinococcus granulosus	histone deacetylase	0.0051	0.1138	0.123
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0216	0.9253	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0874	0.0945
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0052	0.1163	0.1256
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0874	0.0945
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0076	0.235	0.4873
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0874	0.0945
Leishmania major	phosphatidylinositol 4-kinase, putative	0.0056	0.1382	0.2865
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0874	0.0945
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.004	0.0572	0.0817
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0032	0.0194	0.0403
Trypanosoma brucei	histone deacetylase, putative	0.0051	0.1138	0.236
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0036	0.0415	0.0478
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0052	0.1163	0.1256
Entamoeba histolytica	hypothetical protein	0.0052	0.1163	0.2411
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.0126	0.4822	1
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0032	0.0194	0.0403
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0032	0.0194	0.021
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1468	0.1586
Plasmodium vivax	adenosine deaminase, putative	0.0086	0.284	0.5889
Loa Loa (eye worm)	hypothetical protein	0.0058	0.1468	0.1586
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0052	0.1163	0.2411
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0032	0.0194	0.021
Entamoeba histolytica	hypothetical protein	0.0032	0.0194	0.0403
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0068	0.1954	0.4053
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0408	0.0846
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0052	0.1163	0.2092
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0036	0.0415	0.0449
Echinococcus multilocularis	adenosylhomocysteinase	0.0126	0.4822	0.5211
Entamoeba histolytica	adenosylhomocysteinase, putative	0.0126	0.4822	1
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0052	0.1163	0.2411
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0068	0.1954	0.2112
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0032	0.0194	0.0403
Schistosoma mansoni	adenosylhomocysteinase	0.0078	0.2461	0.2659
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0052	0.1163	0.2411
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0874	0.0945
Leishmania major	hypothetical protein, unknown function	0.0032	0.0194	0.0403
Trypanosoma brucei	phosphatidylinositol 3-kinase catalytic subunit, putative	0.0032	0.0194	0.0403
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0052	0.1163	0.1256
Trypanosoma cruzi	S-adenosylhomocysteine hydrolase, putative	0.0126	0.4822	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0874	0.0945
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.0052	0.1163	0.1256
Trichomonas vaginalis	adenosylhomocysteinase, putative	0.0126	0.4822	1
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.0032	0.0194	0.021
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0036	0.0415	0.0478
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0415	0.0478
Onchocerca volvulus		0.0036	0.0408	0.0441
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0032	0.0194	0.0403
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0032	0.0194	0.0403
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0032	0.0194	0.0403
Schistosoma mansoni	alpha-glucosidase	0.0141	0.5561	0.601
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0415	0.0478
Loa Loa (eye worm)	phosphatidylinositol 3	0.0216	0.9253	1
Plasmodium falciparum	phosphatidylinositol 3- and 4-kinase, putative	0.0032	0.0194	0.0403
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0408	0.0441
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0052	0.1163	0.2411
Trypanosoma cruzi	target of rapamycin kinase 3	0.0032	0.0194	0.0403
Loa Loa (eye worm)	phosphatidylinositol 3	0.0032	0.0194	0.021
Echinococcus multilocularis	histone deacetylase	0.0051	0.1138	0.123
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0052	0.1163	0.2411
Toxoplasma gondii	FATC domain-containing protein	0.0032	0.0194	0.0403
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0032	0.0194	0.0403
Loa Loa (eye worm)	phosphatidylinositol 3	0.0052	0.1163	0.1256
Trichomonas vaginalis	alpha-glucosidase, putative	0.0036	0.0415	0.0478
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.0194	0.0403
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0408	0.0846
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0408	0.0218
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0036	0.0415	0.0478
Schistosoma mansoni	alpha-glucosidase	0.0141	0.5561	0.601
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0032	0.0194	0.0403
Toxoplasma gondii	S-Adenosyl homocysteine hydrolase	0.0126	0.4822	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.0052	0.1163	0.2411
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0052	0.1163	0.2411
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0052	0.1163	0.2092

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 7.71 uM	Growth inhibition of human MDA-MB-231 cells after 48 hrs by SRB assay	ChEMBL.	22439863
IC50 (binding)	> 1000 nM	Inhibition of HDAC in human HeLa cell nuclear extract after 30 mins by fluorescence microplate reader	ChEMBL.	22439863

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: CHEMBL2048748

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1655656