TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 674.873 | Formula: C38H54N6O5
H donors: 3 H acceptors: 6 LogP: 4.87 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: CCC(=O)CCCCC[C@@H]1NC(=O)[C@@H]2CCCCN2C(=O)[C@@H](NC(=O)[C@@H](NC1=O)c1cnc2c(c1N1CCCCC1)cccc2)[C@H](CC)C
InChi: 1S/C38H54N6O5/c1-4-25(3)32-38(49)44-23-15-12-20-31(44)36(47)40-30(19-9-6-8-16-26(45)5-2)35(46)42-33(37(48)41-32)28-24-39-29-18-11-10-17-27(29)34(28)43-21-13-7-14-22-43/h10-11,17-18,24-25,30-33H,4-9,12-16,19-23H2,1-3H3,(H,40,47)(H,41,48)(H,42,46)/t25?,30-,31+,32-,33+/m0/s1
InChiKey: JPJYOPNEGMWFJL-WRJKRQEZSA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Loa Loa (eye worm)	tubulin beta chain	0.0148	0.1521	0.1855
Leishmania major	beta tubulin	0.0585	0.8199	1
Leishmania major	beta tubulin	0.0585	0.8199	1
Schistosoma mansoni	tubulin subunit beta	0.0585	0.8199	0.8186
Trypanosoma cruzi	histone deacetylase 1, putative	0.0479	0.6589	0.7232
Echinococcus multilocularis	Tubulin beta 2C chain	0.0585	0.8199	0.8186
Toxoplasma gondii	beta tubulin	0.0585	0.8199	1
Trichomonas vaginalis	histone deacetylase, putative	0.0479	0.6589	0.7589
Toxoplasma gondii	histone deacetylase HDAC3	0.0479	0.6589	0.7419
Echinococcus granulosus	peroxisome assembly protein 26	0.0431	0.5846	0.5815
Trypanosoma cruzi	alpha tubulin, putative	0.0431	0.5846	0.5955
Toxoplasma gondii	histone deacetylase HDAC5	0.0205	0.2382	0.0676
Echinococcus multilocularis	tubulin alpha 3 chain	0.0431	0.5846	0.5815
Loa Loa (eye worm)	histone deacetylase 7A	0.0426	0.5768	0.7035
Echinococcus granulosus	tubulin alpha	0.0324	0.4213	0.4169
Echinococcus multilocularis	tubulin alpha chain	0.0431	0.5846	0.5815
Leishmania major	alpha tubulin	0.0431	0.5846	0.4001
Trypanosoma brucei	histone deacetylase 1	0.0479	0.6589	0.7427
Brugia malayi	Tubulin beta-1 chain	0.0585	0.8199	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0585	0.8199	1
Plasmodium vivax	tubulin epsilon chain, putative	0.0353	0.4653	0.469
Trichomonas vaginalis	tubulin beta chain, putative	0.0431	0.5846	0.6477
Echinococcus multilocularis	histone deacetylase 7	0.0426	0.5768	0.5736
Brugia malayi	Tubulin alpha chain	0.0431	0.5846	0.713
Trypanosoma cruzi	epsilon tubulin, putative	0.0353	0.4653	0.3903
Brugia malayi	tubulin alpha chain - mouse	0.0431	0.5846	0.713
Echinococcus multilocularis	peroxisome assembly protein 26	0.0431	0.5846	0.5815
Schistosoma mansoni	alpha tubulin	0.0431	0.5846	0.5815
Loa Loa (eye worm)	histone deacetylase 11	0.0205	0.2382	0.2906
Leishmania major	beta tubulin	0.0585	0.8199	1
Loa Loa (eye worm)	alpha-tubulin	0.0431	0.5846	0.713
Trichomonas vaginalis	tubulin beta chain, putative	0.0431	0.5846	0.6477
Loa Loa (eye worm)	tubulin beta-4 chain	0.0585	0.8199	1
Leishmania major	beta tubulin	0.0585	0.8199	1
Leishmania major	alpha tubulin	0.0431	0.5846	0.4001
Echinococcus multilocularis	histone deacetylase 3	0.0479	0.6589	0.6563
Echinococcus granulosus	tubulin epsilon chain	0.0353	0.4653	0.4612
Loa Loa (eye worm)	beta-tubulin	0.0585	0.8199	1
Echinococcus granulosus	tubulin alpha chain	0.0431	0.5846	0.5815
Trichomonas vaginalis	tubulin beta chain, putative	0.0431	0.5846	0.6477
Trichomonas vaginalis	tubulin, putative	0.0585	0.8199	1
Trypanosoma brucei	epsilon tubulin	0.0353	0.4653	0.4334
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.0075	0.0092
Loa Loa (eye worm)	tubulin alpha 2	0.0107	0.0881	0.1075
Trichomonas vaginalis	tubulin beta chain, putative	0.0431	0.5846	0.6477
Loa Loa (eye worm)	alpha-tubulin	0.0431	0.5846	0.713
Echinococcus multilocularis	histone deacetylase 6	0.0433	0.5882	0.5851
Schistosoma mansoni	thyroid hormone receptor	0.0158	0.1661	0.1598
Trypanosoma cruzi	tubulin delta chain	0.0328	0.4277	0.3257
Loa Loa (eye worm)	hypothetical protein	0.0431	0.5846	0.713
Leishmania major	beta tubulin	0.0585	0.8199	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0585	0.8199	1
Leishmania major	alpha tubulin	0.0431	0.5846	0.4001
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0431	0.5846	0.5815
Echinococcus granulosus	beta tubulin	0.0585	0.8199	0.8186
Trichomonas vaginalis	histone deacetylase, putative	0.0479	0.6589	0.7589
Echinococcus granulosus	tubulin alpha 3 chain	0.0431	0.5846	0.5815
Schistosoma mansoni	histone deacetylase	0.0479	0.6589	0.6563
Echinococcus granulosus	histone deacetylase 1	0.0479	0.6589	0.6563
Mycobacterium ulcerans	cell division protein FtsZ	0.0148	0.1521	0.5
Trichomonas vaginalis	tubulin gamma chain, putative	0.0353	0.4653	0.469
Giardia lamblia	Gamma tubulin	0.0353	0.4659	0.47
Echinococcus granulosus	tubulin alpha 3 chain	0.0431	0.5846	0.5815
Trypanosoma brucei	epsilon tubulin	0.0353	0.4653	0.4334
Leishmania major	zeta tubulin, putative	0.0449	0.6129	0.4721
Echinococcus granulosus	beta tubulin	0.0585	0.8199	0.8186
Echinococcus granulosus	tubulin alpha chain	0.0431	0.5846	0.5815
Schistosoma mansoni	thyroid hormone receptor	0.0158	0.1661	0.1598
Leishmania major	beta tubulin	0.0585	0.8199	1
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0205	0.2382	1
Schistosoma mansoni	hypothetical protein	0.0136	0.1328	0.1262
Trypanosoma brucei	beta tubulin	0.0585	0.8199	1
Echinococcus multilocularis	histone deacetylase 1	0.0479	0.6589	0.6563
Trichomonas vaginalis	tubulin beta chain, putative	0.0431	0.5846	0.6477
Leishmania major	histone deacetylase, putative	0.0426	0.5768	0.3801
Trichomonas vaginalis	tubulin alpha chain, putative	0.0176	0.1941	0.0628
Echinococcus multilocularis	histone deacetylase 8	0.0205	0.2382	0.2325
Toxoplasma gondii	alpha tubulin TUBA1	0.0431	0.5846	0.6228
Giardia lamblia	Histone deacetylase	0.0479	0.6589	0.7589
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0158	0.1661	0.1598
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0431	0.5846	0.5815
Echinococcus multilocularis	beta tubulin	0.0585	0.8199	0.8186
Echinococcus granulosus	tubulin beta 1 chain	0.0585	0.8199	0.8186
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0136	0.1328	0.1262
Echinococcus multilocularis	tubulin alpha 3 chain	0.0431	0.5846	0.5815
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.0075	0.0092
Schistosoma mansoni	alpha tubulin	0.0431	0.5846	0.5815
Giardia lamblia	Alpha-tubulin	0.0431	0.5846	0.6477
Leishmania major	histone deacetylase, putative	0.0479	0.6589	0.5895
Plasmodium falciparum	histone deacetylase 1	0.0479	0.6589	0.7589
Leishmania major	beta tubulin	0.0585	0.8199	1
Schistosoma mansoni	tubulin subunit epsilon	0.0353	0.4653	0.4612
Echinococcus multilocularis	Tubulin beta 2C chain	0.0585	0.8199	0.8186
Echinococcus granulosus	histone deacetylase 6	0.0426	0.5768	0.5736
Trypanosoma brucei	beta tubulin	0.0585	0.8199	1
Plasmodium vivax	tubulin alpha chain, putative	0.0431	0.5846	0.6477
Trypanosoma cruzi	epsilon tubulin, putative	0.0353	0.4653	0.3903
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0431	0.5846	0.5815
Echinococcus multilocularis	tubulin alpha chain	0.0431	0.5846	0.5815
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0136	0.1328	0.1262
Entamoeba histolytica	histone deacetylase, putative	0.0479	0.6589	0.5451
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0431	0.5846	0.6477
Leishmania major	beta tubulin	0.0585	0.8199	1
Echinococcus granulosus	tubulin alpha chain	0.0431	0.5846	0.5815
Echinococcus multilocularis	histone deacetylase	0.0426	0.5768	0.5736
Echinococcus granulosus	Tubulin beta 2C chain	0.0585	0.8199	0.8186
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0282	0.3574	0.4359
Toxoplasma gondii	beta-1 tubulin, putative	0.0585	0.8199	1
Echinococcus multilocularis	tubulin delta chain	0.0148	0.1521	0.1457
Schistosoma mansoni	tubulin subunit alpha	0.0431	0.5846	0.5815
Echinococcus granulosus	alpha tubulin	0.0431	0.5846	0.5815
Brugia malayi	Cell division protein ftsZ	0.0148	0.1521	0.1855
Loa Loa (eye worm)	hypothetical protein	0.0221	0.2634	0.3212
Toxoplasma gondii	beta-tubulin, putative	0.0585	0.8199	1
Loa Loa (eye worm)	BEN-1 protein	0.0585	0.8199	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0324	0.4213	0.3611
Loa Loa (eye worm)	hypothetical protein	0.0479	0.6589	0.8036
Schistosoma mansoni	histone deacetylase	0.0479	0.6589	0.6563
Trichomonas vaginalis	histone deacetylase, putative	0.0479	0.6589	0.7589
Loa Loa (eye worm)	tubulin beta-2A chain	0.0585	0.8199	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0431	0.5846	0.3353
Loa Loa (eye worm)	histone deacetylase 1	0.0479	0.6589	0.8036
Trypanosoma brucei	alpha tubulin	0.0431	0.5846	0.624
Echinococcus multilocularis	tubulin epsilon chain	0.0353	0.4653	0.4612
Brugia malayi	beta-tubulin, identical	0.0585	0.8199	1
Echinococcus multilocularis	tubulin beta 1 chain	0.0585	0.8199	0.8186
Trypanosoma brucei	beta tubulin	0.0585	0.8199	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0431	0.5846	0.5815
Trichomonas vaginalis	tubulin alpha chain, putative	0.0176	0.1941	0.0628
Leishmania major	beta tubulin	0.0585	0.8199	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0328	0.4277	0.3713
Schistosoma mansoni	histone deacetylase 4 5	0.0426	0.5768	0.5736
Trypanosoma brucei	histone deacetylase, putative	0.0426	0.5768	0.6115
Plasmodium vivax	histone deacetylase, putative	0.0426	0.5768	0.6359
Entamoeba histolytica	tubulin family protein	0.0585	0.8199	1
Echinococcus granulosus	tubulin delta chain	0.0148	0.1521	0.1457
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0479	0.6589	0.7589
Trypanosoma cruzi	zeta tubulin, putative	0.0449	0.6129	0.644
Plasmodium falciparum	tubulin beta chain	0.0585	0.8199	1
Loa Loa (eye worm)	tubulin gamma chain	0.0353	0.4659	0.5683
Treponema pallidum	cell division protein FtsZ	0.0148	0.1521	0.5
Trypanosoma brucei	zeta tubulin	0.0449	0.6129	0.6691
Echinococcus granulosus	histone deacetylase 3	0.0479	0.6589	0.6563
Leishmania major	gamma-tubulin	0.0353	0.4659	0.0975
Brugia malayi	Tubulin beta chain	0.0176	0.1941	0.2367
Schistosoma mansoni	tubulin subunit alpha	0.0431	0.5846	0.5815
Plasmodium falciparum	histone deacetylase, putative	0.0426	0.5768	0.6359
Toxoplasma gondii	histone deacetylase HDAC1	0.0426	0.5768	0.6103
Schistosoma mansoni	tubulin subunit beta	0.0585	0.8199	0.8186
Trypanosoma brucei	tubulin gamma chain	0.0353	0.4659	0.4344
Loa Loa (eye worm)	hypothetical protein	0.0282	0.3574	0.4359
Echinococcus granulosus	tubulin alpha chain	0.0431	0.5846	0.5815
Echinococcus granulosus	tubulin beta 4A class IVa	0.0585	0.8199	0.8186
Echinococcus multilocularis	tubulin alpha	0.0324	0.4213	0.4169
Loa Loa (eye worm)	tubulin alpha chain	0.0431	0.5846	0.713
Echinococcus multilocularis	microtubule associated protein 2	0.0702	1	1
Toxoplasma gondii	histone deacetylase HDAC4	0.0205	0.2382	0.0676
Trypanosoma cruzi	histone deacetylase, putative	0.0426	0.5768	0.582
Echinococcus granulosus	histone deacetylase	0.0426	0.5768	0.5736
Echinococcus multilocularis	histone deacetylase 6	0.0426	0.5768	0.5736
Echinococcus multilocularis	tubulin gamma 1 chain	0.0353	0.4659	0.4619
Trypanosoma brucei	zeta tubulin, putative	0.0449	0.6129	0.6691
Echinococcus multilocularis	Tubulin beta 2C chain	0.0585	0.8199	0.8186
Trypanosoma cruzi	histone deacetylase, putative	0.0426	0.5768	0.582
Leishmania major	beta tubulin	0.0585	0.8199	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0431	0.5846	0.6228
Loa Loa (eye worm)	hypothetical protein	0.0229	0.2748	0.3351
Loa Loa (eye worm)	hypothetical protein	0.0255	0.3154	0.3847
Trypanosoma cruzi	histone deacetylase 1, putative	0.0479	0.6589	0.7232
Leishmania major	beta tubulin	0.0585	0.8199	1
Echinococcus multilocularis	tubulin alpha chain	0.0431	0.5846	0.5815
Trypanosoma cruzi	tubulin gamma chain	0.0353	0.4659	0.3915
Entamoeba histolytica	tubulin alpha chain, putative	0.0431	0.5846	0.3353
Trypanosoma brucei	histone deacetylase 3	0.0426	0.5768	0.6115
Leishmania major	alpha tubulin	0.0431	0.5846	0.4001
Plasmodium vivax	tubulin alpha chain, putative	0.0431	0.5846	0.6477
Echinococcus multilocularis	tubulin alpha 1C chain	0.0431	0.5846	0.5815
Mycobacterium leprae	cell division protein FtsZ	0.0148	0.1521	0.5
Echinococcus granulosus	tubulin gamma 1 chain	0.0353	0.4659	0.4619
Trichomonas vaginalis	histone deacetylase, putative	0.0479	0.6589	0.7589
Brugia malayi	alpha-tubulin	0.0431	0.5846	0.713
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0431	0.5846	0.713
Schistosoma mansoni	histone deacetylase hda2	0.0205	0.2382	0.2325
Trichomonas vaginalis	tubulin, putative	0.0176	0.1941	0.0628
Trichomonas vaginalis	tubulin alpha chain, putative	0.0324	0.4213	0.4031
Schistosoma mansoni	tubulin subunit gamma	0.0353	0.4659	0.4619
Trichomonas vaginalis	histone deacetylase, putative	0.0479	0.6589	0.7589
Loa Loa (eye worm)	BEN-1 protein	0.0585	0.8199	1
Loa Loa (eye worm)	histone deacetylase 3	0.0479	0.6589	0.8036
Plasmodium vivax	tubulin beta chain, putative	0.0585	0.8199	1
Schistosoma mansoni	tubulin subunit beta	0.0585	0.8199	0.8186
Loa Loa (eye worm)	histone deacetylase	0.0426	0.5768	0.7035
Plasmodium falciparum	alpha tubulin 2	0.0431	0.5846	0.6477
Trypanosoma cruzi	histone deacetylase, putative	0.0426	0.5768	0.582
Leishmania major	alpha tubulin	0.0431	0.5846	0.4001
Loa Loa (eye worm)	tubulin beta chain	0.0585	0.8199	1
Brugia malayi	histone deacetylase 11	0.0205	0.2382	0.2906
Toxoplasma gondii	histone deacetylase HDAC2	0.0479	0.6589	0.7419
Schistosoma mansoni	tubulin subunit beta	0.0585	0.8199	0.8186
Trypanosoma cruzi	beta tubulin, putative	0.0585	0.8199	1
Loa Loa (eye worm)	tubulin alpha chain	0.0431	0.5846	0.713
Trypanosoma cruzi	tubulin delta chain	0.0328	0.4277	0.3257
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0176	0.1941	0.0628
Giardia lamblia	Beta tubulin	0.0585	0.8199	1
Brugia malayi	histone deacetylase 3 (HD3)	0.0479	0.6589	0.8036
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0282	0.3574	0.3074
Loa Loa (eye worm)	hypothetical protein	0.0053	0.006	0.0073
Brugia malayi	Histone deacetylase 1	0.0479	0.6589	0.8036
Plasmodium falciparum	histone deacetylase 2	0.0426	0.5768	0.6359
Trichomonas vaginalis	tubulin, putative	0.0178	0.1967	0.0668
Brugia malayi	intermediate filament protein	0.0054	0.0075	0.0092
Leishmania major	beta tubulin	0.0585	0.8199	1
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0075	0.0092
Trichomonas vaginalis	tubulin beta chain, putative	0.0176	0.1941	0.0628
Brugia malayi	Histone deacetylase family protein	0.0426	0.5768	0.7035
Echinococcus multilocularis	tubulin alpha 1C chain	0.0431	0.5846	0.5815
Echinococcus multilocularis	tubulin subunit beta	0.0585	0.8199	0.8186
Brugia malayi	Tubulin beta chain	0.0148	0.1521	0.1855
Echinococcus granulosus	Tubulin beta 2C chain	0.0585	0.8199	0.8186
Schistosoma mansoni	tubulin subunit alpha	0.0148	0.1521	0.1457
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0148	0.1521	0.5
Echinococcus multilocularis	tubulin alpha chain	0.0431	0.5846	0.5815
Schistosoma mansoni	histone deacetylase 1 2 3	0.0205	0.2382	0.2325
Giardia lamblia	Alpha-tubulin	0.0431	0.5846	0.6477
Leishmania major	beta tubulin	0.0585	0.8199	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0479	0.6589	0.7589
Trypanosoma brucei	histone deacetylase 4	0.0426	0.5768	0.6115
Trichomonas vaginalis	tubulin beta chain, putative	0.0585	0.8199	1
Echinococcus multilocularis	tubulin alpha chain	0.0431	0.5846	0.5815
Leishmania major	beta tubulin	0.0585	0.8199	1
Leishmania major	alpha tubulin	0.0431	0.5846	0.4001
Loa Loa (eye worm)	tubulin beta-1 chain	0.0585	0.8199	1
Schistosoma mansoni	microtubule-associated protein tau	0.0702	1	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0479	0.6589	0.7589
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0255	0.3154	0.3847
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0431	0.5846	0.6477
Leishmania major	histone deacetylase, putative	0.0426	0.5768	0.3801
Trichomonas vaginalis	tubulin beta chain, putative	0.0431	0.5846	0.6477
Brugia malayi	histone deacetylase 1 (HD1)	0.0479	0.6589	0.8036
Loa Loa (eye worm)	hypothetical protein	0.0205	0.2382	0.2906
Schistosoma mansoni	alpha tubulin	0.0431	0.5846	0.5815
Trichomonas vaginalis	tubulin, putative	0.0176	0.1941	0.0628
Echinococcus granulosus	tubulin subunit beta	0.0585	0.8199	0.8186
Echinococcus granulosus	Tubulin alpha 1 chain	0.0431	0.5846	0.5815
Echinococcus granulosus	Tubulin beta 2C chain	0.0585	0.8199	0.8186
Echinococcus multilocularis	beta tubulin	0.0585	0.8199	0.8186
Echinococcus granulosus	tubulin alpha chain	0.0431	0.5846	0.5815
Brugia malayi	Tubulin alpha chain	0.0148	0.1521	0.1855
Leishmania major	alpha tubulin	0.0431	0.5846	0.4001
Brugia malayi	Tubulin alpha-2 chain	0.0431	0.5846	0.713
Plasmodium falciparum	tubulin epsilon chain, putative	0.0353	0.4653	0.469
Plasmodium falciparum	alpha tubulin 1	0.0431	0.5846	0.6477
Leishmania major	alpha tubulin	0.0431	0.5846	0.4001
Giardia lamblia	Beta tubulin	0.0585	0.8199	1
Echinococcus multilocularis	tubulin subunit TubB	0.0431	0.5846	0.5815
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0431	0.5846	0.6477
Trypanosoma brucei	beta tubulin	0.0324	0.4213	0.3631
Trichomonas vaginalis	histone deacetylase, putative	0.0479	0.6589	0.7589
Loa Loa (eye worm)	tubulin alpha 2	0.0282	0.3574	0.4359
Plasmodium vivax	histone deacetylase, putative	0.0205	0.2382	0.129
Loa Loa (eye worm)	tubulin alpha 2	0.0282	0.3574	0.4359
Giardia lamblia	Beta tubulin	0.0585	0.8199	1
Plasmodium vivax	histone deacetylase 1, putative	0.0479	0.6589	0.7589
Onchocerca volvulus		0.0176	0.1941	0.8085
Schistosoma mansoni	tubulin subunit beta	0.0585	0.8199	0.8186
Leishmania major	alpha tubulin	0.0431	0.5846	0.4001
Brugia malayi	Histone deacetylase family protein	0.0426	0.5768	0.7035
Echinococcus granulosus	tubulin subunit TubB	0.0431	0.5846	0.5815
Trichomonas vaginalis	tubulin alpha chain, putative	0.0585	0.8199	1
Entamoeba histolytica	tubulin family protein	0.0585	0.8199	1
Schistosoma mansoni	tubulin subunit beta	0.0148	0.1521	0.1457
Echinococcus granulosus	histone deacetylase 7	0.0426	0.5768	0.5736
Echinococcus multilocularis	Tubulin beta 2C chain	0.0585	0.8199	0.8186
Trypanosoma brucei	beta tubulin	0.0585	0.8199	1
Trypanosoma brucei	epsilon tubulin	0.0324	0.4213	0.3631
Schistosoma mansoni	tubulin subunit beta	0.0585	0.8199	0.8186
Trypanosoma brucei	alpha tubulin	0.0431	0.5846	0.624
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0585	0.8199	0.8186
Brugia malayi	tubulin alpha-2 chain	0.0431	0.5846	0.713
Echinococcus multilocularis	histone deacetylase 6	0.0426	0.5768	0.5736
Trypanosoma brucei	histone deacetylase 2	0.0205	0.2382	0.0706
Leishmania major	epsilon tubulin, putative	0.0353	0.4653	0.0958
Echinococcus granulosus	histone deacetylase 6	0.0426	0.5768	0.5736
Leishmania major	beta tubulin	0.0585	0.8199	1
Echinococcus granulosus	histone deacetylase 6	0.0433	0.5882	0.5851
Echinococcus multilocularis	hypothetical protein	0.0431	0.5846	0.5815
Leishmania major	beta tubulin	0.0585	0.8199	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0431	0.5846	0.5815
Leishmania major	histone deacetylase, putative	0.0479	0.6589	0.5895
Echinococcus granulosus	tubulin alpha 1C chain	0.0431	0.5846	0.5815
Trypanosoma brucei	tubulin delta chain	0.0328	0.4277	0.3733
Trypanosoma brucei	alpha tubulin	0.0431	0.5846	0.624
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.0075	0.0092
Giardia lamblia	Epsilon tubulin	0.0177	0.1961	0.0658
Trichomonas vaginalis	tubulin gamma chain, putative	0.0353	0.4659	0.47
Echinococcus granulosus	histone deacetylase 8	0.0205	0.2382	0.2325
Echinococcus multilocularis	Tubulin beta 2C chain	0.0585	0.8199	0.8186
Trichomonas vaginalis	tubulin alpha chain, putative	0.0176	0.1941	0.0628
Trypanosoma cruzi	zeta tubulin, putative	0.0449	0.6129	0.644
Schistosoma mansoni	histone deacetylase 4 5	0.0426	0.5768	0.5736
Schistosoma mansoni	tubulin subunit delta	0.0148	0.1521	0.1457
Leishmania major	alpha tubulin	0.0431	0.5846	0.4001
Plasmodium vivax	histone deacetylase 2, putative	0.0426	0.5768	0.6359
Schistosoma mansoni	histone deacetylase hda2	0.0433	0.5882	0.5851
Trichomonas vaginalis	tubulin gamma chain, putative	0.0585	0.8199	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0431	0.5846	0.5815
Trypanosoma brucei	alpha tubulin	0.0431	0.5846	0.624
Leishmania major	alpha tubulin	0.0431	0.5846	0.4001
Brugia malayi	Tubulin gamma chain	0.0353	0.4659	0.5683
Brugia malayi	Tubulin alpha-2 chain	0.0431	0.5846	0.713
Echinococcus granulosus	Tubulin beta 2C chain	0.0585	0.8199	0.8186
Echinococcus granulosus	Tubulin beta 2C chain	0.0585	0.8199	0.8186
Schistosoma mansoni	tubulin subunit alpha	0.0431	0.5846	0.5815
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0148	0.1521	0.5
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0255	0.3154	0.2445
Leishmania major	alpha tubulin	0.0431	0.5846	0.4001
Leishmania major	beta tubulin	0.0585	0.8199	1
Plasmodium falciparum	tubulin gamma chain	0.0353	0.4659	0.47
Leishmania major	beta tubulin	0.0585	0.8199	1
Plasmodium vivax	tubulin gamma chain, putative	0.0353	0.4659	0.47

Activities

Activity type	Activity value	Assay description	Source	Reference
AP50 (functional)	= 2500 ng ml-1	Tested in vitro by mammalian antiproliferative functional assay using human HeLa cells or foreskin fibroblasts	ChEMBL.	11206439
IC50 (functional)	= 55 ng ml-1	In vitro antiprotozoal activity using whole red blood cells infected with Plasmodium falciparum	ChEMBL.	11206439
IC50 (binding)	= 0.8 nM	Inhibitory activity against histone deacetylase enzyme derived from partially purified extracts of Eimeria tenella protozoa using [3H]-11 as radioligand	ChEMBL.	11206439
IC50 (binding)	= 13 nM	Inhibitory activity against histone deacetylase (HDAC) enzyme derived from partially purified extracts of human HeLa cells using [3H]-11 as radioligand	ChEMBL.	11206439
Ki (binding)	= 20 nM	Binding affinity towards HDAC enzyme derived from Eimeria tenella protozoa	ChEMBL.	11206439
Ki (binding)	= 100 nM	Binding affinity towards HDAC enzyme derived from chicken liver (CL) cells	ChEMBL.	11206439
MIC (functional)	= 125 ng ml-1	In vitro antiprotozoal activity using Mauden-Downing bovine kidney host cells infected with Eimeria tenella	ChEMBL.	11206439

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: 118297

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 17368