TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 335.228 | Formula: C17H16Cl2N2O
H donors: 1 H acceptors: 1 LogP: 3.13 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)Cl)C[C@H](C(=O)N1Cc2c(C1)cccc2)N
InChi: 1S/C17H16Cl2N2O/c18-14-6-5-11(15(19)8-14)7-16(20)17(22)21-9-12-3-1-2-4-13(12)10-21/h1-6,8,16H,7,9-10,20H2/t16-/m1/s1
InChiKey: JFWNERIMAUEHNN-MRXNPFEDSA-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 2	Starlite/ChEMBL	References
Homo sapiens	histone deacetylase 1	Starlite/ChEMBL	References
Homo sapiens	histone deacetylase 8	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Neospora caninum	hypothetical protein	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
Echinococcus multilocularis	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
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
Trichomonas vaginalis	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
Brugia malayi	histone deacetylase 3 (HD3)	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
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
Trichomonas vaginalis	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, putative	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
Trichomonas vaginalis	histone deacetylase, putative	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
Trypanosoma cruzi	histone deacetylase 1, 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
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 donovani	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
Cryptosporidium parvum	RPD3/HD1 histone deacetylase	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
Leishmania infantum	histone deacetylase, 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 major	histone deacetylase, 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
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, 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
Brugia malayi	histone deacetylase 1 (HD1)	Get druggable targets OG5_126742	All targets in OG5_126742
Cryptosporidium hominis	histone deacetylase	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 congolense	histone deacetylase-like 1 protein, 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
Plasmodium yoelii	histone deacetylase	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
Echinococcus granulosus	histone deacetylase 3	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
Echinococcus multilocularis	histone deacetylase 3	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
Schistosoma japonicum	ko:K06067 histone deacetylase 1/2, 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
Trichomonas vaginalis	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
Trypanosoma cruzi	histone deacetylase 1, 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
Leishmania braziliensis	histone deacetylase, 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
Neospora caninum	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
Schistosoma mansoni	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
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
Giardia lamblia	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
Loa Loa (eye worm)	histone deacetylase 3	Get druggable targets OG5_126742	All targets in OG5_126742

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	histone deacetylase 1	histone deacetylase 8	286 aa	241 aa	44.8 %
Trypanosoma brucei	histone deacetylase 2	histone deacetylase 2	488 aa	427 aa	29.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	expressed protein	0.0017	0.003	0.003
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1008	0.1067
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0219	0.0476
Schistosoma mansoni	histone deacetylase hda2	0.0066	0.143	0.1514
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0496	0.0526
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0125	0.3132	0.3132
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1008	0.1008
Schistosoma mansoni	ran	0.0024	0.0219	0.0232
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0176	0.4593	0.64
Plasmodium falciparum	histone deacetylase 2	0.0066	0.143	0.3112
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0464	0.0491
Brugia malayi	histone deacetylase 1 (HD1)	0.0176	0.4593	0.7367
Loa Loa (eye worm)	histone deacetylase 7A	0.0066	0.143	0.1514
Trypanosoma cruzi	histone deacetylase, putative	0.0066	0.143	0.3112
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0068	0.149	0.149
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0233	0.6235	0.6602
Trichomonas vaginalis	histone deacetylase, putative	0.0176	0.4593	0.64
Treponema pallidum	bacterioferrin (TpF1)	0.0017	0.003	0.5
Schistosoma mansoni	hypothetical protein	0.0344	0.9445	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0068	0.149	0.3244
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0464	0.101
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0496	0.0496
Schistosoma mansoni	hypothetical protein	0.0125	0.3132	0.3316
Schistosoma mansoni	histone deacetylase 4 5	0.0066	0.143	0.1514
Schistosoma mansoni	ferritin light chain	0.0017	0.003	0.0031
Brugia malayi	jmjC domain containing protein	0.0061	0.1277	0.2049
Loa Loa (eye worm)	intermediate filament protein	0.006	0.1272	0.1347
Leishmania major	histone deacetylase, putative	0.0066	0.143	0.3112
Loa Loa (eye worm)	histone deacetylase 3	0.0176	0.4593	0.4863
Schistosoma mansoni	importin beta-1	0.0032	0.0464	0.0491
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.1008	0.1617
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0176	0.4593	0.64
Schistosoma mansoni	ferritin	0.0017	0.003	0.0031
Echinococcus granulosus	histone deacetylase	0.0066	0.143	0.143
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.149	1
Toxoplasma gondii	histone deacetylase HDAC3	0.0176	0.4593	1
Trichomonas vaginalis	histone deacetylase, putative	0.0176	0.4593	0.64
Echinococcus granulosus	histone deacetylase 6	0.0066	0.143	0.143
Schistosoma mansoni	ran	0.0024	0.0219	0.0232
Brugia malayi	cytoplasmic intermediate filament protein	0.0032	0.0466	0.0747
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0176	0.4593	0.64
Entamoeba histolytica	histone deacetylase, putative	0.0176	0.4593	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.149	0.1578
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.0496	0.1081
Schistosoma mansoni	ferritin light chain	0.0017	0.003	0.0031
Brugia malayi	MH2 domain containing protein	0.0128	0.3233	0.5185
Onchocerca volvulus		0.006	0.1272	0.1163
Trypanosoma brucei	histone deacetylase 1	0.0176	0.4593	1
Brugia malayi	Pre-SET motif family protein	0.0033	0.0496	0.0796
Echinococcus multilocularis	musashi	0.006	0.1272	0.1272
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0496	0.0526
Brugia malayi	Pre-SET motif family protein	0.0233	0.6235	1
Trypanosoma cruzi	histone deacetylase, putative	0.0066	0.143	0.3112
Brugia malayi	RNA, U transporter 1	0.0092	0.2175	0.3488
Echinococcus multilocularis	ferritin	0.0017	0.003	0.003
Trichomonas vaginalis	ran, putative	0.0024	0.0219	0.0265
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0024	0.0219	0.0476
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1008	0.1008
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.3233	0.3423
Loa Loa (eye worm)	histone deacetylase 11	0.0066	0.143	0.1514
Brugia malayi	histone deacetylase 11	0.0066	0.143	0.2293
Echinococcus multilocularis	histone deacetylase 6	0.0066	0.143	0.143
Toxoplasma gondii	histone deacetylase HDAC4	0.0066	0.143	0.3112
Loa Loa (eye worm)	hypothetical protein	0.0066	0.143	0.1514
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0135	0.3421	0.3421
Trypanosoma cruzi	histone deacetylase, putative	0.0066	0.143	0.3112
Schistosoma mansoni	histone deacetylase 4 5	0.0066	0.143	0.1514
Echinococcus granulosus	snurportin 1	0.0344	0.9445	0.9445
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.3233	0.3423
Trypanosoma cruzi	histone deacetylase 1, putative	0.0176	0.4593	1
Loa Loa (eye worm)	histone deacetylase	0.0066	0.143	0.1514
Echinococcus multilocularis	histone deacetylase 3	0.0176	0.4593	0.4593
Echinococcus multilocularis	lamin dm0	0.006	0.1272	0.1272
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1008	0.1067
Echinococcus granulosus	histone deacetylase 3	0.0176	0.4593	0.4593
Brugia malayi	Histone deacetylase family protein	0.0066	0.143	0.2293
Plasmodium vivax	histone deacetylase, putative	0.0066	0.143	0.3112
Plasmodium vivax	histone deacetylase 2, putative	0.0066	0.143	0.3112
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0496	0.0496
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0288	0.0363
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.149	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0068	0.149	0.149
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.0017	0.003	0.5
Toxoplasma gondii	histone deacetylase HDAC1	0.0066	0.143	0.3112
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0288	0.0363
Echinococcus granulosus	intermediate filament protein	0.006	0.1272	0.1272
Trypanosoma brucei	histone deacetylase 2	0.0066	0.143	0.3112
Echinococcus granulosus	histone deacetylase 7	0.0066	0.143	0.143
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.1008	0.1067
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0496	0.0526
Schistosoma mansoni	jumonji domain containing protein	0.0061	0.1277	0.1352
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0464	0.0464
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0342	0.0362
Trypanosoma cruzi	histone deacetylase, putative	0.0066	0.143	0.3112
Echinococcus multilocularis	histone deacetylase	0.0066	0.143	0.143
Echinococcus multilocularis	lysine specific demethylase 5A	0.0061	0.1277	0.1277
Trypanosoma brucei	histone deacetylase 3	0.0066	0.143	0.3112
Toxoplasma gondii	histone deacetylase HDAC5	0.0066	0.143	0.3112
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0464	0.101
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0219	0.0232
Leishmania major	GTP-binding protein, putative	0.0024	0.0219	0.0476
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0496	0.0526
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0464	0.101
Leishmania major	histone deacetylase, putative	0.0176	0.4593	1
Schistosoma mansoni	apoferritin-2	0.0017	0.003	0.0031
Plasmodium falciparum	histone deacetylase 1	0.0176	0.4593	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0464	0.101
Trichomonas vaginalis	histone deacetylase, putative	0.0176	0.4593	0.64
Loa Loa (eye worm)	histone deacetylase 1	0.0176	0.4593	0.4863
Schistosoma mansoni	histone deacetylase	0.0176	0.4593	0.4863
Schistosoma mansoni	ferritin	0.0017	0.003	0.0031
Echinococcus multilocularis	histone deacetylase 7	0.0066	0.143	0.143
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0032	0.0466	0.0493
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0061	0.1277	0.1277
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0219	0.0219
Brugia malayi	Histone deacetylase 1	0.0176	0.4593	0.7367
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0496	0.0496
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0068	0.149	1
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0017	0.003	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0068	0.149	0.3244
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.1008	0.1008
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0024	0.0219	0.0476
Trichomonas vaginalis	set domain proteins, putative	0.0265	0.7161	1
Trypanosoma cruzi	histone deacetylase, putative	0.0066	0.143	0.3112
Echinococcus multilocularis	histone deacetylase 6	0.0066	0.143	0.143
Schistosoma mansoni	thyroid hormone receptor	0.0135	0.3421	0.3622
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0219	0.0351
Entamoeba histolytica	hypothetical protein	0.0026	0.0288	0.0159
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0029	0.0373	0.0373
Loa Loa (eye worm)	hypothetical protein	0.0176	0.4593	0.4863
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0288	0.0627
Brugia malayi	Importin beta-1 subunit	0.0032	0.0464	0.0744
Schistosoma mansoni	aldehyde dehydrogenase	0.0068	0.149	0.1578
Trypanosoma brucei	histone deacetylase 4	0.0066	0.143	0.3112
Leishmania major	histone deacetylase, putative	0.0066	0.143	0.3112
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0344	0.9445	1
Brugia malayi	intermediate filament protein	0.006	0.1272	0.204
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0342	0.0362
Trypanosoma brucei	histone deacetylase, putative	0.0066	0.143	0.3112
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0373	0.0395
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0066	0.143	0.14
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0032	0.0461	0.0461
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0288	0.0363
Schistosoma mansoni	ferritin	0.0017	0.003	0.0031
Brugia malayi	jmjC domain containing protein	0.0061	0.1277	0.2049
Schistosoma mansoni	thyroid hormone receptor	0.0135	0.3421	0.3622
Trichomonas vaginalis	histone deacetylase, putative	0.0176	0.4593	0.64
Echinococcus granulosus	histone deacetylase 1	0.0176	0.4593	0.4593
Schistosoma mansoni	lamin	0.006	0.1272	0.1347
Schistosoma mansoni	ferritin	0.0017	0.003	0.0031
Plasmodium falciparum	importin beta, putative	0.0032	0.0464	0.101
Onchocerca volvulus		0.0265	0.7161	1
Brugia malayi	histone deacetylase 3 (HD3)	0.0176	0.4593	0.7367
Trypanosoma cruzi	histone deacetylase 1, putative	0.0176	0.4593	1
Echinococcus granulosus	histone deacetylase 6	0.0066	0.143	0.143
Plasmodium vivax	histone deacetylase, putative	0.0066	0.143	0.3112
Plasmodium falciparum	histone deacetylase, putative	0.0066	0.143	0.3112
Schistosoma mansoni	histone deacetylase 1 2 3	0.0066	0.143	0.1514
Echinococcus granulosus	lamin	0.006	0.1272	0.1272
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0068	0.149	1
Loa Loa (eye worm)	hypothetical protein	0.006	0.1272	0.1347
Plasmodium vivax	SET domain protein, putative	0.0033	0.0496	0.1081
Schistosoma mansoni	intermediate filament proteins	0.006	0.1272	0.1347
Echinococcus multilocularis	lamin	0.006	0.1272	0.1272
Echinococcus multilocularis	histone deacetylase 1	0.0176	0.4593	0.4593
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0061	0.1277	0.1352
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0496	0.0526
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0029	0.0373	0.0373
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.006	0.1272	0.1347
Echinococcus granulosus	ferritin	0.0017	0.003	0.003
Schistosoma mansoni	cellular tumor antigen P53	0.0053	0.1067	0.113
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1067	0.113
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.1008	0.1067
Echinococcus multilocularis	histone deacetylase 6	0.0066	0.143	0.143
Echinococcus granulosus	histone deacetylase 6	0.0066	0.143	0.143
Schistosoma mansoni	histone deacetylase hda2	0.0066	0.143	0.1514
Brugia malayi	Histone deacetylase family protein	0.0066	0.143	0.2293
Echinococcus granulosus	histone deacetylase 8	0.0066	0.143	0.143
Schistosoma mansoni	histone deacetylase	0.0176	0.4593	0.4863
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0024	0.0219	0.0476
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0219	0.0219
Echinococcus multilocularis	histone deacetylase 8	0.0066	0.143	0.143
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0061	0.1277	0.1277
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0288	0.0627
Plasmodium vivax	histone deacetylase 1, putative	0.0176	0.4593	1
Brugia malayi	Intermediate filament tail domain containing protein	0.006	0.1272	0.204
Onchocerca volvulus		0.0053	0.1067	0.0856
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0219	0.0476
Echinococcus granulosus	lysine specific demethylase 5A	0.0061	0.1277	0.1277
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0125	0.3132	0.3132
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0061	0.1277	0.1352
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.1008	0.1008
Schistosoma mansoni	apoferritin-2	0.0017	0.003	0.0031
Echinococcus multilocularis	snurportin 1	0.0344	0.9445	0.9445
Schistosoma mansoni	lamin	0.006	0.1272	0.1347
Echinococcus granulosus	lamin dm0	0.006	0.1272	0.1272
Giardia lamblia	Histone deacetylase	0.0176	0.4593	1
Trichomonas vaginalis	histone deacetylase, putative	0.0176	0.4593	0.64
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.0219	0.0476
Toxoplasma gondii	histone deacetylase HDAC2	0.0176	0.4593	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.124	0.1313
Leishmania major	histone deacetylase, putative	0.0176	0.4593	1
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0464	0.0464
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.1277	0.1352
Onchocerca volvulus		0.006	0.1272	0.1163
Trichomonas vaginalis	histone deacetylase, putative	0.0176	0.4593	0.64
Echinococcus granulosus	expressed protein	0.0017	0.003	0.003

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 90 nM	Inhibition of N terminal hexahistidine-tagged human HDAC8 expressed in Sf9 cells after 1 hr by fluorescence assay	ChEMBL.	21723733
IC50 (binding)	= 1.7 uM	Inhibition of human HDAC1 using rhodamine as substrate after 1 hrs by fluorescence assay	ChEMBL.	21723733
IC50 (binding)	= 3.9 uM	Inhibition of human HDAC2 using rhodamine as substrate after 1 hrs by fluorescence assay	ChEMBL.	21723733
IC50 (binding)	> 30 uM	Inhibition of human HDAC6 using rhodamine as substrate after 1 hrs by fluorescence assay	ChEMBL.	21723733

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: CHEMBL1812335

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1079760