TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 311.309 | Formula: C14H18FN3O4
H donors: 4 H acceptors: 4 LogP: 1.29 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)CCCCCNC(=O)NC(=O)c1ccc(cc1)F
InChi: 1S/C14H18FN3O4/c15-11-7-5-10(6-8-11)13(20)17-14(21)16-9-3-1-2-4-12(19)18-22/h5-8,22H,1-4,9H2,(H,18,19)(H2,16,17,20,21)
InChiKey: FFOBSVYYGFGUBV-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
Leishmania mexicana	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
Trichomonas vaginalis	histone deacetylase, putative	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
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
Schistosoma japonicum	ko:K01463 Hdac3 [EC:3.5.1.-], 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
Leishmania donovani	histone deacetylase, 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
Leishmania donovani	histone deacetylase, putative	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 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
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
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
Schistosoma mansoni	histone deacetylase	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
Leishmania mexicana	histone deacetylase, 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
Schistosoma mansoni	histone deacetylase	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
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
Leishmania major	histone deacetylase, putative	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
Plasmodium berghei	histone deacetylase 1, putative	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
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
Theileria parva	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
Plasmodium yoelii	histone deacetylase	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
Cryptosporidium hominis	histone deacetylase	Get druggable targets OG5_126742	All targets in OG5_126742
Neospora caninum	hypothetical protein	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
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
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, 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
Schistosoma japonicum	ko:K06067 histone deacetylase 1/2, 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
Trypanosoma cruzi	histone deacetylase 1, putative	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
Toxoplasma gondii	histone deacetylase HDAC3	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
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
Giardia lamblia	Histone deacetylase	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
Babesia bovis	histone deacetylase	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
Plasmodium vivax	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
Leishmania infantum	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	histone deacetylase, putative	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
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0035	0.0735	0.5
Trichomonas vaginalis	histone deacetylase, putative	0.0077	0.2534	0.2677
Loa Loa (eye worm)	RNA binding protein	0.0124	0.4557	0.4541
Trypanosoma brucei	histone deacetylase 4	0.0022	0.0169	0.0556
Echinococcus multilocularis	pyruvate kinase	0.0035	0.0735	0.0735
Schistosoma mansoni	histone deacetylase	0.0077	0.2534	0.3962
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0735	0.0708
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.0735	0.0708
Trypanosoma brucei	histone deacetylase, putative	0.0022	0.0169	0.0556
Onchocerca volvulus		0.0236	0.9383	1
Echinococcus granulosus	histone deacetylase 6	0.0022	0.0169	0.0169
Toxoplasma gondii	histone deacetylase HDAC1	0.0022	0.0169	0.0666
Echinococcus multilocularis	geminin	0.0167	0.6395	0.6395
Brugia malayi	histone deacetylase 1 (HD1)	0.0077	0.2534	0.2512
Echinococcus multilocularis	histone deacetylase 3	0.0077	0.2534	0.2534
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.1182	0.1156
Schistosoma mansoni	ap endonuclease	0.0019	0.0029	0.0046
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0077	0.2534	0.2677
Echinococcus granulosus	geminin	0.0167	0.6395	0.6395
Echinococcus granulosus	histone deacetylase	0.0022	0.0169	0.0169
Plasmodium falciparum	pyruvate kinase	0.0035	0.0735	0.2902
Leishmania major	histone deacetylase, putative	0.0022	0.0169	0.0556
Toxoplasma gondii	exonuclease III APE	0.0019	0.0029	0.0116
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.1422	0.1397
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1182	0.1848
Echinococcus granulosus	histone deacetylase 6	0.0022	0.0169	0.0169
Loa Loa (eye worm)	TAR-binding protein	0.0124	0.4557	0.4541
Brugia malayi	Pre-SET motif family protein	0.003	0.0505	0.0477
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1182	0.1182
Loa Loa (eye worm)	hypothetical protein	0.0077	0.2534	0.2512
Toxoplasma gondii	pyruvate kinase PyK1	0.0035	0.0735	0.2902
Trypanosoma cruzi	histone deacetylase, putative	0.0022	0.0169	0.0556
Loa Loa (eye worm)	histone deacetylase 1	0.0077	0.2534	0.2512
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0035	0.0735	1
Trichomonas vaginalis	histone deacetylase, putative	0.0077	0.2534	0.2677
Brugia malayi	Histone deacetylase family protein	0.0022	0.0169	0.014
Echinococcus multilocularis	histone deacetylase 6	0.0022	0.0169	0.0169
Loa Loa (eye worm)	hypothetical protein	0.003	0.0505	0.0477
Plasmodium vivax	histone deacetylase 1, putative	0.0077	0.2534	1
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.0735	0.0708
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1182	0.1848
Loa Loa (eye worm)	histone deacetylase	0.0022	0.0169	0.014
Leishmania major	pyruvate kinase	0.0035	0.0735	0.2819
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.4557	0.7125
Schistosoma mansoni	histone deacetylase 1 2 3	0.0022	0.0169	0.0264
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0458	0.0458
Trypanosoma cruzi	histone deacetylase 1, putative	0.0077	0.2534	1
Schistosoma mansoni	histone deacetylase 4 5	0.0022	0.0169	0.0264
Echinococcus granulosus	pyruvate kinase	0.0035	0.0735	0.0735
Toxoplasma gondii	histone deacetylase HDAC5	0.0022	0.0169	0.0666
Brugia malayi	Pre-SET motif family protein	0.0207	0.815	0.8144
Schistosoma mansoni	histone deacetylase 4 5	0.0022	0.0169	0.0264
Trichomonas vaginalis	histone deacetylase, putative	0.0077	0.2534	0.2677
Trypanosoma cruzi	histone deacetylase, putative	0.0022	0.0169	0.0556
Schistosoma mansoni	ap endonuclease	0.0019	0.0029	0.0046
Leishmania major	histone deacetylase, putative	0.0077	0.2534	1
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0035	0.0735	0.2819
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0505	0.0505
Brugia malayi	histone deacetylase 3 (HD3)	0.0077	0.2534	0.2512
Brugia malayi	Histone deacetylase family protein	0.0022	0.0169	0.014
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0035	0.0735	0.2819
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0505	0.0789
Leishmania major	histone deacetylase, putative	0.0022	0.0169	0.0556
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0029	0.0029
Schistosoma mansoni	histone deacetylase	0.0077	0.2534	0.3962
Schistosoma mansoni	histone deacetylase hda2	0.0022	0.0169	0.0264
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0278	0.025
Brugia malayi	TAR-binding protein	0.0124	0.4557	0.4541
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0124	0.4557	0.4541
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0505	0.0789
Echinococcus multilocularis	histone deacetylase 1	0.0077	0.2534	0.2534
Echinococcus multilocularis	pyruvate kinase	0.0035	0.0735	0.0735
Giardia lamblia	Pyruvate kinase	0.0035	0.0735	0.2902
Brugia malayi	histone deacetylase 11	0.0022	0.0169	0.014
Trichomonas vaginalis	histone deacetylase, putative	0.0077	0.2534	0.2677
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1182	0.1182
Plasmodium vivax	SET domain protein, putative	0.003	0.0505	0.1992
Trypanosoma brucei	histone deacetylase 2	0.0022	0.0169	0.0556
Onchocerca volvulus	Pyruvate kinase homolog	0.0035	0.0735	0.0615
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0019	0.0029	0.0116
Toxoplasma gondii	histone deacetylase HDAC3	0.0077	0.2534	1
Trichomonas vaginalis	histone deacetylase, putative	0.0077	0.2534	0.2677
Loa Loa (eye worm)	histone deacetylase 3	0.0077	0.2534	0.2512
Schistosoma mansoni	pyruvate kinase	0.0035	0.0735	0.115
Echinococcus granulosus	histone deacetylase 1	0.0077	0.2534	0.2534
Trypanosoma cruzi	histone deacetylase, putative	0.0022	0.0169	0.0556
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.815	0.8144
Onchocerca volvulus		0.003	0.0505	0.0365
Chlamydia trachomatis	pyruvate kinase	0.0035	0.0735	0.5
Entamoeba histolytica	pyruvate kinase, putative	0.0024	0.0278	0.0993
Mycobacterium ulcerans	pyruvate kinase	0.0035	0.0735	1
Plasmodium vivax	histone deacetylase, putative	0.0022	0.0169	0.0666
Echinococcus granulosus	histone deacetylase 8	0.0022	0.0169	0.0169
Schistosoma mansoni	hypothetical protein	0.0051	0.1422	0.2224
Echinococcus granulosus	pyruvate kinase	0.0035	0.0735	0.0735
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.4557	0.7125
Plasmodium vivax	histone deacetylase 2, putative	0.0022	0.0169	0.0666
Schistosoma mansoni	hypothetical protein	0.0167	0.6395	1
Brugia malayi	RNA recognition motif domain containing protein	0.0124	0.4557	0.4541
Onchocerca volvulus	Pyruvate kinase homolog	0.0035	0.0735	0.0615
Trypanosoma brucei	pyruvate kinase 1	0.0035	0.0735	0.2819
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0505	0.0505
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.1182	0.1156
Entamoeba histolytica	histone deacetylase, putative	0.0077	0.2534	1
Echinococcus multilocularis	histone deacetylase 6	0.0022	0.0169	0.0169
Toxoplasma gondii	histone deacetylase HDAC4	0.0022	0.0169	0.0666
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.1182	0.1182
Trypanosoma brucei	histone deacetylase 1	0.0077	0.2534	1
Brugia malayi	RNA binding protein	0.0124	0.4557	0.4541
Trichomonas vaginalis	pyruvate kinase, putative	0.0035	0.0735	0.0755
Toxoplasma gondii	histone deacetylase HDAC2	0.0077	0.2534	1
Brugia malayi	Histone deacetylase 1	0.0077	0.2534	0.2512
Trypanosoma brucei	histone deacetylase 3	0.0022	0.0169	0.0556
Loa Loa (eye worm)	pyruvate kinase-PB	0.0024	0.0278	0.025
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.9383	1
Echinococcus multilocularis	pyruvate kinase	0.0028	0.0417	0.0417
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0029	0.0116
Echinococcus granulosus	histone deacetylase 3	0.0077	0.2534	0.2534
Leishmania major	pyruvate kinase	0.0035	0.0735	0.2819
Plasmodium falciparum	histone deacetylase 2	0.0022	0.0169	0.0666
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0169	0.014
Echinococcus multilocularis	histone deacetylase 8	0.0022	0.0169	0.0169
Trypanosoma brucei	pyruvate kinase 1, putative	0.0035	0.0735	0.2819
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.0029	0.5
Giardia lamblia	Histone deacetylase	0.0077	0.2534	1
Onchocerca volvulus		0.0051	0.1422	0.1361
Echinococcus multilocularis	histone deacetylase 6	0.0022	0.0169	0.0169
Echinococcus multilocularis	histone deacetylase	0.0022	0.0169	0.0169
Echinococcus multilocularis	survival motor neuron protein 1	0.025	1	1
Loa Loa (eye worm)	histone deacetylase 7A	0.0022	0.0169	0.014
Plasmodium falciparum	histone deacetylase 1	0.0077	0.2534	1
Plasmodium vivax	pyruvate kinase, putative	0.0035	0.0735	0.2902
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0035	0.0735	0.0708
Loa Loa (eye worm)	histone deacetylase 11	0.0022	0.0169	0.014
Loa Loa (eye worm)	hypothetical protein	0.025	1	1
Trypanosoma cruzi	histone deacetylase, putative	0.0022	0.0169	0.0556
Schistosoma mansoni	survival motor neuron protein	0.0051	0.1422	0.2224
Plasmodium falciparum	histone deacetylase, putative	0.0022	0.0169	0.0666
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0505	0.0789
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.4557	0.7125
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0077	0.2534	0.2677
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0035	0.0735	0.0708
Echinococcus granulosus	tar DNA binding protein	0.0124	0.4557	0.4557
Schistosoma mansoni	hypothetical protein	0.0167	0.6395	1
Trypanosoma cruzi	histone deacetylase, putative	0.0022	0.0169	0.0556
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.1182	0.1848
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0019	0.0029	0.0116
Trichomonas vaginalis	pyruvate kinase, putative	0.0035	0.0735	0.0755
Leishmania major	histone deacetylase, putative	0.0077	0.2534	1
Plasmodium vivax	histone deacetylase, putative	0.0022	0.0169	0.0666
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0505	0.0505
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.4557	0.7125
Trichomonas vaginalis	histone deacetylase, putative	0.0077	0.2534	0.2677
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0077	0.2534	0.2677
Echinococcus granulosus	histone deacetylase 7	0.0022	0.0169	0.0169
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0029	0.0029
Trypanosoma cruzi	histone deacetylase 1, putative	0.0077	0.2534	1
Schistosoma mansoni	tar DNA-binding protein	0.0124	0.4557	0.7125
Echinococcus multilocularis	histone deacetylase 7	0.0022	0.0169	0.0169
Echinococcus granulosus	histone deacetylase 6	0.0022	0.0169	0.0169
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0505	0.0789
Onchocerca volvulus	Pyruvate kinase homolog	0.0035	0.0735	0.0615
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0029	0.5
Echinococcus granulosus	survival motor neuron protein 1	0.025	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.1182	0.1182
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0505	0.1992
Schistosoma mansoni	pyruvate kinase	0.0035	0.0735	0.115
Schistosoma mansoni	histone deacetylase hda2	0.0022	0.0169	0.0264
Loa Loa (eye worm)	pyruvate kinase	0.0035	0.0735	0.0708
Echinococcus multilocularis	tar DNA binding protein	0.0124	0.4557	0.4557

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation at 10 uM by Western-immuno blotting	ChEMBL.	20451378
IC50 (binding)	= 115 nM	Inhibition of HDAC1	ChEMBL.	20451378
IC50 (binding)	= 2.55 uM	Inhibition of HDAC1 in human COLO205 cells assessed as induction of histone H3 acetylation	ChEMBL.	20451378

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: CHEMBL1084282

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1110747