TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 402.404 | Formula: C19H19N2O4PS
H donors: 3 H acceptors: 3 LogP: 2.36 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOP(=O)(c1ccc(cc1)C(=O)Nc1cc(ccc1N)c1cccs1)O
InChi: 1S/C19H19N2O4PS/c1-2-25-26(23,24)15-8-5-13(6-9-15)19(22)21-17-12-14(7-10-16(17)20)18-4-3-11-27-18/h3-12H,2,20H2,1H3,(H,21,22)(H,23,24)
InChiKey: IMLZDMUDBWXUHD-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	histone deacetylase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component	Get druggable targets OG5_126742	All targets in OG5_126742
Entamoeba histolytica	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Babesia bovis	histone deacetylase	Get druggable targets OG5_126742	All targets in OG5_126742
Leishmania braziliensis	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Leishmania donovani	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Leishmania donovani	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Brugia malayi	histone deacetylase 3 (HD3)	Get druggable targets OG5_126742	All targets in OG5_126742
Neospora caninum	hypothetical protein	Get druggable targets OG5_126742	All targets in OG5_126742
Cryptosporidium hominis	histone deacetylase	Get druggable targets OG5_126742	All targets in OG5_126742
Schistosoma japonicum	ko:K06067 histone deacetylase 1/2, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Giardia lamblia	Histone deacetylase	Get druggable targets OG5_126742	All targets in OG5_126742
Schistosoma mansoni	histone deacetylase	Get druggable targets OG5_126742	All targets in OG5_126742
Leishmania infantum	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Cryptosporidium parvum	histone deacetylase HDA2/Rpd3p	Get druggable targets OG5_126742	All targets in OG5_126742
Trypanosoma cruzi	histone deacetylase 1, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Trypanosoma brucei	histone deacetylase 1	Get druggable targets OG5_126742	All targets in OG5_126742
Echinococcus multilocularis	histone deacetylase 1	Get druggable targets OG5_126742	All targets in OG5_126742
Trichomonas vaginalis	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Candida albicans	one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component	Get druggable targets OG5_126742	All targets in OG5_126742
Brugia malayi	Histone deacetylase 1	Get druggable targets OG5_126742	All targets in OG5_126742
Toxoplasma gondii	histone deacetylase HDAC3	Get druggable targets OG5_126742	All targets in OG5_126742
Schistosoma mansoni	histone deacetylase	Get druggable targets OG5_126742	All targets in OG5_126742
Schistosoma japonicum	ko:K01463 Hdac3 [EC:3.5.1.-], putative	Get druggable targets OG5_126742	All targets in OG5_126742
Leishmania infantum	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Leishmania major	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Plasmodium vivax	histone deacetylase 1, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Leishmania braziliensis	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Trypanosoma brucei gambiense	histone deacetylase 1,histone deacetylase-like 1 protein, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Trichomonas vaginalis	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Echinococcus granulosus	histone deacetylase 1	Get druggable targets OG5_126742	All targets in OG5_126742
Loa Loa (eye worm)	histone deacetylase 3	Get druggable targets OG5_126742	All targets in OG5_126742
Plasmodium berghei	histone deacetylase 1, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Toxoplasma gondii	histone deacetylase HDAC2	Get druggable targets OG5_126742	All targets in OG5_126742
Plasmodium knowlesi	histone deacetylase 1, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Candida albicans	one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component	Get druggable targets OG5_126742	All targets in OG5_126742
Loa Loa (eye worm)	histone deacetylase 1	Get druggable targets OG5_126742	All targets in OG5_126742
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Plasmodium falciparum	histone deacetylase 1	Get druggable targets OG5_126742	All targets in OG5_126742
Trypanosoma cruzi	histone deacetylase 1, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Trichomonas vaginalis	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Trichomonas vaginalis	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Brugia malayi	histone deacetylase 1 (HD1)	Get druggable targets OG5_126742	All targets in OG5_126742
Echinococcus multilocularis	histone deacetylase 3	Get druggable targets OG5_126742	All targets in OG5_126742
Echinococcus granulosus	histone deacetylase 3	Get druggable targets OG5_126742	All targets in OG5_126742
Leishmania mexicana	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Trichomonas vaginalis	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Cryptosporidium parvum	RPD3/HD1 histone deacetylase	Get druggable targets OG5_126742	All targets in OG5_126742
Leishmania major	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126742	All targets in OG5_126742
Trichomonas vaginalis	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Leishmania mexicana	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Theileria parva	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Cryptosporidium hominis	histone deacetylase	Get druggable targets OG5_126742	All targets in OG5_126742
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Trypanosoma congolense	histone deacetylase-like 1 protein, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Plasmodium yoelii	histone deacetylase	Get druggable targets OG5_126742	All targets in OG5_126742
Neospora caninum	histone deacetylase, putative	Get druggable targets OG5_126742	All targets in OG5_126742
Candida albicans	one of two distinct genes with strong similarity to S. cerevisiae RPD3 (YNL330C) SIN3 histone deacetylase complex component	Get druggable targets OG5_126742	All targets in OG5_126742

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
Brugia malayi	YY1-associated factor 2	0.0038	0.052	0.0718
Plasmodium falciparum	glutathione reductase	0.0083	0.1986	0.7219
Chlamydia trachomatis	SWIB complex protein	0.0107	0.2752	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0038	0.052	0.2618
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0223	0.1123
Echinococcus granulosus	histone deacetylase 3	0.0077	0.1784	0.1784
Schistosoma mansoni	hypothetical protein	0.0107	0.2752	0.2752
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0038	0.052	0.189
Onchocerca volvulus		0.0279	0.8342	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.019	0.5444	0.8837
Giardia lamblia	Histone deacetylase	0.0077	0.1784	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.0077	0.1784	0.898
Leishmania major	trypanothione reductase	0.0083	0.1986	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0083	0.1986	0.2985
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0029	0.0223	0.0308
Onchocerca volvulus		0.0035	0.0429	0.0514
Loa Loa (eye worm)	hypothetical protein	0.0038	0.052	0.0718
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0077	0.1784	0.1923
Brugia malayi	brahma associated protein 60 kDa	0.0107	0.2752	0.3799
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0107	0.2752	1
Onchocerca volvulus		0.0038	0.052	0.0624
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0223	0.1123
Treponema pallidum	NADH oxidase	0.0029	0.0223	0.5
Echinococcus granulosus	SWI:SNF matrix associated	0.0107	0.2752	0.2752
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0029	0.0223	0.1123
Echinococcus granulosus	histone deacetylase 1	0.0077	0.1784	0.1784
Onchocerca volvulus		0.0038	0.052	0.0624
Brugia malayi	glutathione reductase	0.0083	0.1986	0.2743
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0029	0.0223	0.0811
Schistosoma mansoni	histone deacetylase	0.0077	0.1784	0.1784
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0211	0.613	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0223	0.5
Trypanosoma cruzi	trypanothione reductase, putative	0.0083	0.1986	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0211	0.613	1
Echinococcus multilocularis	geminin	0.033	1	1
Brugia malayi	histone deacetylase 1 (HD1)	0.0077	0.1784	0.2463
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0038	0.052	0.2618
Schistosoma mansoni	RNA binding protein	0.0038	0.052	0.052
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0077	0.1784	0.1923
Mycobacterium tuberculosis	Probable dehydrogenase	0.019	0.5444	0.8837
Brugia malayi	Pre-SET motif family protein	0.0245	0.7243	1
Trichomonas vaginalis	histone deacetylase, putative	0.0077	0.1784	0.1923
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0029	0.0223	0.0811
Toxoplasma gondii	histone deacetylase HDAC3	0.0077	0.1784	0.6483
Leishmania major	hypothetical protein, conserved	0.0038	0.052	0.2618
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0035	0.0429	0.1559
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0107	0.2752	1
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0029	0.0223	0.0811
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0029	0.0223	0.0223
Plasmodium vivax	SET domain protein, putative	0.0035	0.0429	0.1559
Echinococcus multilocularis	histone deacetylase 1	0.0077	0.1784	0.1784
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0038	0.052	0.2618
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0029	0.0223	0.1123
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.019	0.5444	0.8837
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0038	0.052	0.052
Onchocerca volvulus		0.0038	0.052	0.0624
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0107	0.2752	0.2752
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1784	0.2463
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0029	0.0223	0.1123
Schistosoma mansoni	brg-1 associated factor	0.0107	0.2752	0.2752
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0084	0.2003	0.2003
Echinococcus multilocularis	SWI:SNF matrix associated	0.0107	0.2752	0.2752
Echinococcus multilocularis	SWI:SNF matrix associated	0.0107	0.2752	0.2752
Toxoplasma gondii	ran binding protein	0.0038	0.052	0.189
Trichomonas vaginalis	histone deacetylase, putative	0.0077	0.1784	0.1923
Trypanosoma cruzi	trypanothione reductase, putative	0.0029	0.0223	0.1123
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0038	0.052	0.052
Loa Loa (eye worm)	hypothetical protein	0.0038	0.052	0.0718
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0029	0.0223	0.1123
Plasmodium falciparum	thioredoxin reductase	0.0083	0.1986	0.7219
Trichomonas vaginalis	set domain proteins, putative	0.0279	0.8342	1
Plasmodium vivax	hypothetical protein, conserved	0.0107	0.2752	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0387	0.0387
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0038	0.052	0.0718
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0038	0.052	0.2618
Leishmania major	histone deacetylase, putative	0.0077	0.1784	0.898
Trypanosoma cruzi	WLM domain containing protein, putative	0.0038	0.052	0.2618
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.052	0.2618
Chlamydia trachomatis	DNA topoisomerase I	0.0107	0.2752	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0429	0.0429
Schistosoma mansoni	hypothetical protein	0.033	1	1
Echinococcus granulosus	ring and YY1 binding protein	0.0038	0.052	0.052
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0077	0.1784	0.1923
Schistosoma mansoni	zinc finger protein	0.0038	0.052	0.052
Trypanosoma brucei	histone deacetylase 1	0.0077	0.1784	0.898
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0429	0.0429
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0429	0.0429
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0038	0.052	0.2618
Trypanosoma cruzi	WLM domain containing protein, putative	0.0038	0.052	0.2618
Loa Loa (eye worm)	glutathione reductase	0.0083	0.1986	0.2743
Brugia malayi	Histone deacetylase 1	0.0077	0.1784	0.2463
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0038	0.052	0.0718
Plasmodium falciparum	thioredoxin reductase	0.0029	0.0223	0.0811
Echinococcus granulosus	thioredoxin glutathione reductase	0.0084	0.2003	0.2003
Toxoplasma gondii	NADPH-glutathione reductase	0.0029	0.0223	0.0811
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0211	0.613	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0245	0.7243	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.052	0.2618
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0429	0.0429
Leishmania major	hypothetical protein, conserved	0.0038	0.052	0.2618
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0029	0.0223	0.0223
Leishmania major	hypothetical protein, conserved	0.0038	0.052	0.2618
Brugia malayi	SWIB/MDM2 domain containing protein	0.0107	0.2752	0.3799
Mycobacterium tuberculosis	Probable reductase	0.019	0.5444	0.8837
Brugia malayi	Pre-SET motif family protein	0.0035	0.0429	0.0592
Echinococcus multilocularis	histone deacetylase 3	0.0077	0.1784	0.1784
Leishmania major	histone deacetylase, putative	0.0077	0.1784	0.898
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0029	0.0223	0.1123
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0029	0.0223	0.0811
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0211	0.613	1
Plasmodium falciparum	histone deacetylase 1	0.0077	0.1784	0.6483
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0029	0.0223	0.0811
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0029	0.0223	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0429	0.0429
Leishmania major	hypothetical protein, conserved	0.0038	0.052	0.2618
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0029	0.0223	0.5
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0223	0.1123
Plasmodium vivax	histone deacetylase 1, putative	0.0077	0.1784	0.6483
Echinococcus multilocularis	zinc finger protein Ran binding	0.0038	0.052	0.052
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0038	0.052	0.2618
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.019	0.5444	0.8837
Loa Loa (eye worm)	brahma associated protein	0.0107	0.2752	0.3799
Loa Loa (eye worm)	hypothetical protein	0.0038	0.052	0.0718
Onchocerca volvulus		0.0038	0.052	0.0624
Plasmodium vivax	thioredoxin reductase, putative	0.0083	0.1986	0.7219
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0038	0.052	0.2618
Loa Loa (eye worm)	histone deacetylase 1	0.0077	0.1784	0.2463
Plasmodium falciparum	glutathione reductase	0.0029	0.0223	0.0811
Loa Loa (eye worm)	histone deacetylase 3	0.0077	0.1784	0.2463
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0029	0.0223	0.1123
Onchocerca volvulus		0.0107	0.2752	0.3299
Trichomonas vaginalis	histone deacetylase, putative	0.0077	0.1784	0.1923
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0038	0.052	0.0718
Schistosoma mansoni	hypothetical protein	0.033	1	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0107	0.2752	0.2752
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0029	0.0223	0.5
Trichomonas vaginalis	histone deacetylase, putative	0.0077	0.1784	0.1923
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0038	0.052	0.0624
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0107	0.2752	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0029	0.0223	0.1123
Echinococcus granulosus	zinc finger protein Ran binding	0.0038	0.052	0.052
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0429	0.0429
Brugia malayi	Thioredoxin reductase	0.0083	0.1986	0.2743
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0029	0.0223	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0038	0.052	0.0718
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0107	0.2752	0.3799
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0429	0.0592
Toxoplasma gondii	thioredoxin reductase	0.0083	0.1986	0.7219
Entamoeba histolytica	histone deacetylase, putative	0.0077	0.1784	0.5
Trypanosoma brucei	trypanothione reductase	0.0083	0.1986	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.0077	0.1784	0.898
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.052	0.2618
Trichomonas vaginalis	histone deacetylase, putative	0.0077	0.1784	0.1923
Loa Loa (eye worm)	hypothetical protein	0.0038	0.052	0.0718
Echinococcus multilocularis	ring and YY1 binding protein	0.0038	0.052	0.052
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0029	0.0223	0.1123
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.052	0.2618
Loa Loa (eye worm)	hypothetical protein	0.0038	0.052	0.0718
Brugia malayi	histone deacetylase 3 (HD3)	0.0077	0.1784	0.2463
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0107	0.2752	1
Plasmodium vivax	glutathione reductase, putative	0.0083	0.1986	0.7219
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0223	0.1123
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0038	0.052	0.189
Toxoplasma gondii	histone deacetylase HDAC2	0.0077	0.1784	0.6483
Brugia malayi	brahma associated protein 60 kDa	0.0107	0.2752	0.3799
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0107	0.2752	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0029	0.0223	0.0223
Schistosoma mansoni	TRABID protein (C64 family)	0.0038	0.052	0.052
Schistosoma mansoni	hypothetical protein	0.0107	0.2752	0.2752
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0029	0.0223	0.1123
Loa Loa (eye worm)	thioredoxin reductase	0.0083	0.1986	0.2743
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0223	0.1123
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0429	0.0429
Schistosoma mansoni	histone deacetylase	0.0077	0.1784	0.1784
Trichomonas vaginalis	conserved hypothetical protein	0.0107	0.2752	0.3115
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0029	0.0223	0.1123
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0029	0.0223	0.1123
Echinococcus granulosus	Zinc finger RanBP2 type	0.0038	0.052	0.052
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.019	0.5444	0.8837
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0107	0.2752	0.2752
Trichomonas vaginalis	histone deacetylase, putative	0.0077	0.1784	0.1923
Schistosoma mansoni	hypothetical protein	0.0038	0.052	0.052
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.052	0.2618
Leishmania major	hypothetical protein, conserved	0.0038	0.052	0.2618
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0038	0.052	0.052
Schistosoma mansoni	hypothetical protein	0.0107	0.2752	0.2752
Schistosoma mansoni	fusion	0.0038	0.052	0.052

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	> 20 uM	Antiproliferative activity against human HCT116 cells after 72 hrs	ChEMBL.	19268585
IC50 (binding)	= 42 nM	Inhibition of HDAC1	ChEMBL.	19268585

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: CHEMBL513255

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1006487