TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 414.417 | Formula: C22H18N6O3
H donors: 1 H acceptors: 3 LogP: 2.24 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)Cn1cnc2c1ncnc1c2nc(=O)n1Cc1ccc(cc1)O
InChi: 1S/C22H18N6O3/c1-31-17-8-4-14(5-9-17)10-27-13-25-18-19-21(24-12-23-20(18)27)28(22(30)26-19)11-15-2-6-16(29)7-3-15/h2-9,12-13,29H,10-11H2,1H3
InChiKey: LIMMYCAENPPHLE-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

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
Entamoeba histolytica	tubulin family protein	0.0266	0.3683	0.8483
Toxoplasma gondii	beta tubulin	0.0266	0.3683	0.8426
Trypanosoma cruzi	beta tubulin, putative	0.0266	0.3683	0.8611
Mycobacterium ulcerans	bifunctional penicillin-binding protein 1A/1B PonA1	0.0385	0.5566	0.5546
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Trichomonas vaginalis	tubulin beta chain, putative	0.0233	0.3168	0.3874
Trypanosoma cruzi	zeta tubulin, putative	0.0068	0.0584	0.1178
Schistosoma mansoni	glutaminase	0.0542	0.8031	1
Leishmania major	zeta tubulin, putative	0.0068	0.0584	0.0662
Echinococcus granulosus	beta tubulin	0.0266	0.3683	0.8624
Echinococcus granulosus	histone deacetylase 6	0.0233	0.3172	0.7411
Echinococcus granulosus	peroxisome assembly protein 26	0.0233	0.3168	0.7402
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Echinococcus granulosus	dna polymerase kappa	0.0037	0.0093	0.0096
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0129	0.1531	0.2353
Trichomonas vaginalis	tubulin alpha chain, putative	0.0266	0.3683	0.4522
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Brugia malayi	histone deacetylase 1 (HD1)	0.0302	0.4262	0.5109
Plasmodium vivax	histone deacetylase 2, putative	0.0233	0.3172	0.7037
Trypanosoma cruzi	histone deacetylase, putative	0.0121	0.1409	0.3157
Loa Loa (eye worm)	tubulin alpha 2	0.0165	0.2097	0.2354
Plasmodium vivax	tubulin gamma chain, putative	0.0157	0.1981	0.3797
Brugia malayi	beta-tubulin, identical	0.0266	0.3683	0.4358
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1276	0.1297
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Trichomonas vaginalis	conserved hypothetical protein	0.0385	0.5566	0.6895
Echinococcus granulosus	tubulin alpha chain	0.0233	0.3168	0.7402
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0233	0.3168	0.3874
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0266	0.3683	0.4522
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Trypanosoma brucei	beta tubulin	0.0266	0.3683	0.8642
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Trypanosoma brucei	DNA polymerase IV, putative	0.0037	0.0093	0.0219
Mycobacterium tuberculosis	Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen	0.0258	0.3561	0.631
Loa Loa (eye worm)	tubulin alpha chain	0.0233	0.3168	0.3735
Trichomonas vaginalis	tubulin beta chain, putative	0.0233	0.3168	0.3874
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Leishmania major	histone deacetylase, putative	0.0233	0.3172	0.7233
Trypanosoma brucei	epsilon tubulin	0.0157	0.1981	0.4647
Trichomonas vaginalis	tubulin beta chain, putative	0.0233	0.3168	0.3874
Trichomonas vaginalis	set domain proteins, putative	0.0213	0.2861	0.3487
Echinococcus multilocularis	tubulin alpha chain	0.0233	0.3168	0.7402
Echinococcus multilocularis	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Mycobacterium ulcerans	glutaminase	0.0542	0.8031	0.8043
Echinococcus multilocularis	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Trichomonas vaginalis	tubulin alpha chain, putative	0.0157	0.1981	0.2378
Loa Loa (eye worm)	tubulin beta-2A chain	0.0266	0.3683	0.4398
Loa Loa (eye worm)	histone deacetylase	0.0233	0.3172	0.374
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Echinococcus granulosus	tubulin subunit TubB	0.0233	0.3168	0.7402
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Echinococcus granulosus	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0688	0.054
Echinococcus granulosus	Tubulin alpha 1 chain	0.0233	0.3168	0.7402
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0121	0.1409	0.3318
Treponema pallidum	fructose-bisphosphate aldolase	0.0263	0.3644	0.325
Brugia malayi	Histone deacetylase family protein	0.0233	0.3172	0.3695
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Schistosoma mansoni	histone deacetylase 1 2 3	0.0121	0.1409	0.1408
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0052	0.0324	0.0643
Schistosoma mansoni	alpha tubulin	0.0233	0.3168	0.369
Echinococcus granulosus	tubulin alpha chain	0.0233	0.3168	0.7402
Mycobacterium tuberculosis	Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase	0.0128	0.1518	0.2327
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0059	0.0446	0.031
Echinococcus multilocularis	beta tubulin	0.0266	0.3683	0.8624
Trichomonas vaginalis	tubulin gamma chain, putative	0.0157	0.1981	0.2378
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0089	0.0909	0.1028
Loa Loa (eye worm)	histone deacetylase 1	0.0302	0.4262	0.5144
Loa Loa (eye worm)	tubulin beta chain	0.0266	0.3683	0.4398
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Echinococcus granulosus	tubulin alpha 1C chain	0.0233	0.3168	0.7402
Echinococcus granulosus	histone deacetylase 3	0.0302	0.4262	1
Schistosoma mansoni	tubulin subunit beta	0.0266	0.3683	0.4358
Echinococcus multilocularis	hypothetical protein	0.0233	0.3168	0.7402
Giardia lamblia	Histone deacetylase	0.0302	0.4262	1
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Leishmania major	histone deacetylase, putative	0.0302	0.4262	1
Plasmodium falciparum	tubulin epsilon chain, putative	0.0157	0.1981	0.3797
Schistosoma mansoni	histone deacetylase	0.0302	0.4262	0.5109
Echinococcus multilocularis	histone deacetylase 6	0.0233	0.3172	0.7411
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0106	0.118	0.2678
Trypanosoma cruzi	tubulin delta chain	0.0068	0.0584	0.1178
Toxoplasma gondii	alpha tubulin TUBA1	0.0233	0.3168	0.7026
Loa Loa (eye worm)	alpha-tubulin	0.0233	0.3168	0.3735
Toxoplasma gondii	histone deacetylase HDAC2	0.0302	0.4262	1
Echinococcus multilocularis	dna polymerase kappa	0.0037	0.0093	0.0096
Schistosoma mansoni	tubulin subunit epsilon	0.0157	0.1981	0.215
Echinococcus multilocularis	tubulin beta 1 chain	0.0266	0.3683	0.8624
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0302	0.4262	0.5251
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0075	0.0688	0.0473
Schistosoma mansoni	tubulin subunit beta	0.0266	0.3683	0.4358
Leishmania major	histone deacetylase, putative	0.0233	0.3172	0.7233
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.0137	0.1668	0.1595
Echinococcus granulosus	histone deacetylase 6	0.0239	0.3268	0.764
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Brugia malayi	Tubulin alpha-2 chain	0.0233	0.3168	0.369
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0144	0.1772	0.2115
Entamoeba histolytica	tubulin alpha chain, putative	0.0233	0.3168	0.7134
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0059	0.0446	0.0846
Loa Loa (eye worm)	tubulin beta chain	0.0068	0.0584	0.0406
Echinococcus multilocularis	histone deacetylase 6	0.0239	0.3268	0.764
Echinococcus granulosus	tubulin epsilon chain	0.0157	0.1981	0.458
Echinococcus multilocularis	tubulin epsilon chain	0.0157	0.1981	0.458
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1772	0.1936
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0233	0.3168	0.7402
Echinococcus granulosus	tubulin alpha 3 chain	0.0233	0.3168	0.7402
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0302	0.4262	0.5251
Echinococcus granulosus	L aminoadipate semialdehyde	0.0075	0.0688	0.1509
Echinococcus granulosus	histone deacetylase 7	0.0233	0.3172	0.7411
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Echinococcus multilocularis	histone deacetylase 3	0.0302	0.4262	1
Echinococcus multilocularis	tubulin alpha chain	0.0233	0.3168	0.7402
Loa Loa (eye worm)	histone deacetylase 7A	0.0233	0.3172	0.374
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0052	0.0324	0.0233
Loa Loa (eye worm)	glutaminase	0.0542	0.8031	1
Giardia lamblia	Alpha-tubulin	0.0233	0.3168	0.7026
Toxoplasma gondii	histone deacetylase HDAC5	0.0121	0.1409	0.2243
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0266	0.3683	0.8624
Trypanosoma cruzi	epsilon tubulin, putative	0.0157	0.1981	0.4528
Schistosoma mansoni	tubulin subunit alpha	0.0233	0.3168	0.369
Trichomonas vaginalis	tubulin gamma chain, putative	0.0266	0.3683	0.4522
Trypanosoma cruzi	histone deacetylase 1, putative	0.0302	0.4262	1
Leishmania major	epsilon tubulin, putative	0.0157	0.1981	0.4207
Leishmania major	histone deacetylase, putative	0.0302	0.4262	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0059	0.0446	0.1046
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0129	0.1531	0.1457
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0068	0.0584	0.0619
Echinococcus granulosus	alpha tubulin	0.0233	0.3168	0.7402
Trichomonas vaginalis	tubulin beta chain, putative	0.0266	0.3683	0.4522
Plasmodium vivax	tubulin epsilon chain, putative	0.0157	0.1981	0.3797
Plasmodium vivax	tubulin alpha chain, putative	0.0233	0.3168	0.7026
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0068	0.0584	0.0508
Loa Loa (eye worm)	beta-tubulin	0.0266	0.3683	0.4398
Schistosoma mansoni	tubulin subunit gamma	0.0157	0.1981	0.215
Toxoplasma gondii	alpha-tubulin I, putative	0.0233	0.3168	0.7026
Schistosoma mansoni	lipoxygenase	0.0074	0.0678	0.046
Brugia malayi	histone deacetylase 11	0.0121	0.1409	0.1408
Echinococcus granulosus	tubulin gamma 1 chain	0.0157	0.1981	0.458
Echinococcus granulosus	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0263	0.3644	0.8382
Echinococcus granulosus	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Echinococcus multilocularis	beta tubulin	0.0266	0.3683	0.8624
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0302	0.4262	0.5251
Schistosoma mansoni	tubulin subunit beta	0.0266	0.3683	0.4358
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Echinococcus multilocularis	histone deacetylase 8	0.0121	0.1409	0.3222
Trypanosoma cruzi	histone deacetylase, putative	0.0121	0.1409	0.3157
Schistosoma mansoni	tubulin subunit beta	0.0068	0.0584	0.0338
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.0378	0.5455	0.5433
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0059	0.0446	0.0934
Echinococcus multilocularis	tubulin delta chain	0.0068	0.0584	0.1262
Giardia lamblia	Fructose-bisphosphate aldolase	0.0263	0.3644	0.8321
Loa Loa (eye worm)	tubulin alpha 2	0.0076	0.07	0.0556
Brugia malayi	Tubulin alpha-2 chain	0.0233	0.3168	0.369
Schistosoma mansoni	histone deacetylase hda2	0.0121	0.1409	0.1408
Echinococcus granulosus	histone deacetylase 6	0.0233	0.3172	0.7411
Mycobacterium leprae	POSSIBLE PENICILLIN-BINDING LIPOPROTEIN	0.0137	0.1668	0.2175
Brugia malayi	histone deacetylase 3 (HD3)	0.0302	0.4262	0.5109
Schistosoma mansoni	tubulin subunit delta	0.0068	0.0584	0.0338
Entamoeba histolytica	tubulin alpha-1 chain	0.0233	0.3168	0.7134
Trypanosoma brucei	histone deacetylase 2	0.0121	0.1409	0.3306
Echinococcus multilocularis	tubulin alpha 1C chain	0.0233	0.3168	0.7402
Trypanosoma cruzi	histone deacetylase, putative	0.0233	0.3172	0.7386
Trypanosoma brucei	beta tubulin	0.0157	0.1981	0.4647
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Schistosoma mansoni	alpha tubulin	0.0233	0.3168	0.369
Schistosoma mansoni	histone deacetylase	0.0302	0.4262	0.5109
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0059	0.0446	0.0846
Trichomonas vaginalis	histone deacetylase, putative	0.0302	0.4262	0.5251
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0187	0.2455	0.2816
Trypanosoma cruzi	alpha tubulin, putative	0.0233	0.3168	0.7377
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0233	0.3168	0.7402
Plasmodium falciparum	tubulin gamma chain	0.0157	0.1981	0.3797
Onchocerca volvulus		0.0089	0.0909	0.1017
Treponema pallidum	penicillin-binding protein (pbp-2)	0.0385	0.5566	0.5291
Loa Loa (eye worm)	histone deacetylase 11	0.0121	0.1409	0.1469
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Leishmania major	delta tubulin, putative	0.0068	0.0584	0.0662
Trypanosoma brucei	alpha tubulin	0.0233	0.3168	0.7434
Echinococcus multilocularis	tubulin alpha chain	0.0233	0.3168	0.7402
Trypanosoma cruzi	tubulin delta chain	0.0068	0.0584	0.1178
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1409	0.1469
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Loa Loa (eye worm)	histone deacetylase 3	0.0302	0.4262	0.5144
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Trypanosoma brucei	tubulin gamma chain	0.0157	0.1981	0.4647
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0157	0.1981	0.3797
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Onchocerca volvulus		0.0213	0.2861	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0263	0.3644	0.8382
Trypanosoma brucei	alpha tubulin	0.0233	0.3168	0.7434
Echinococcus granulosus	tubulin beta 4A class IVa	0.0266	0.3683	0.8624
Trichomonas vaginalis	tubulin alpha chain, putative	0.0089	0.0909	0.1028
Echinococcus granulosus	tubulin delta chain	0.0068	0.0584	0.1262
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0233	0.3168	0.3735
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0075	0.0688	0.0473
Trypanosoma brucei	DNA polymerase IV, putative	0.0037	0.0093	0.0219
Echinococcus granulosus	tubulin alpha chain	0.0233	0.3168	0.7402
Echinococcus granulosus	tubulin alpha	0.0157	0.1981	0.458
Trypanosoma cruzi	epsilon tubulin, putative	0.0157	0.1981	0.4528
Loa Loa (eye worm)	hypothetical protein	0.0165	0.2097	0.2354
Loa Loa (eye worm)	hypothetical protein	0.0302	0.4262	0.5144
Trypanosoma brucei	alpha tubulin	0.0233	0.3168	0.7434
Echinococcus granulosus	tubulin subunit beta	0.0266	0.3683	0.8624
Mycobacterium tuberculosis	Probable penicillin-binding membrane protein PbpB	0.0239	0.3262	0.5727
Trypanosoma cruzi	tubulin gamma chain	0.0157	0.1981	0.4528
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0052	0.0324	0.0643
Treponema pallidum	penicillin-binding protein (pbp-3)	0.0665	0.9962	0.996
Brugia malayi	Tubulin beta-1 chain	0.0266	0.3683	0.4358
Echinococcus multilocularis	tubulin alpha 3 chain	0.0233	0.3168	0.7402
Giardia lamblia	Gamma tubulin	0.0157	0.1981	0.3797
Echinococcus multilocularis	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Brugia malayi	glutaminase DH11.1	0.0542	0.8031	1
Entamoeba histolytica	histone deacetylase, putative	0.0302	0.4262	1
Plasmodium vivax	tubulin beta chain, putative	0.0266	0.3683	0.8426
Echinococcus multilocularis	tubulin alpha 3 chain	0.0233	0.3168	0.7402
Trypanosoma cruzi	histone deacetylase, putative	0.0233	0.3172	0.7386
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0129	0.1531	0.19
Brugia malayi	Pre-SET motif family protein	0.0187	0.2455	0.2765
Toxoplasma gondii	beta-1 tubulin, putative	0.0266	0.3683	0.8426
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0137	0.1668	0.2619
Echinococcus granulosus	Tubulin alpha 1 chain	0.0233	0.3168	0.7402
Brugia malayi	alpha-tubulin	0.0233	0.3168	0.369
Echinococcus multilocularis	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Brugia malayi	Tubulin beta chain	0.0089	0.0909	0.076
Plasmodium vivax	histone deacetylase, putative	0.0121	0.1409	0.2243
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN	0.0258	0.3561	0.5976
Schistosoma mansoni	histone deacetylase hda2	0.0239	0.3268	0.3821
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0233	0.3168	0.3874
Echinococcus multilocularis	tubulin alpha	0.0157	0.1981	0.458
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Schistosoma mansoni	histone deacetylase 4 5	0.0233	0.3172	0.3695
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Echinococcus multilocularis	tubulin subunit beta	0.0266	0.3683	0.8624
Echinococcus granulosus	tubulin alpha chain	0.0233	0.3168	0.7402
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Mycobacterium ulcerans	cell division protein FtsZ	0.0068	0.0584	0.0498
Loa Loa (eye worm)	BEN-1 protein	0.0266	0.3683	0.4398
Plasmodium vivax	tubulin alpha chain, putative	0.0233	0.3168	0.7026
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0584	0.0619
Brugia malayi	Histone deacetylase family protein	0.0233	0.3172	0.3695
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Giardia lamblia	Alpha-tubulin	0.0233	0.3168	0.7026
Echinococcus multilocularis	tubulin gamma 1 chain	0.0157	0.1981	0.458
Trichomonas vaginalis	histone deacetylase, putative	0.0302	0.4262	0.5251
Trichomonas vaginalis	tubulin, putative	0.0068	0.0584	0.0619
Trichomonas vaginalis	tubulin beta chain, putative	0.0089	0.0909	0.1028
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Schistosoma mansoni	tubulin subunit beta	0.0266	0.3683	0.4358
Brugia malayi	Tubulin alpha chain	0.0068	0.0584	0.0338
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0165	0.2097	0.2524
Trypanosoma brucei	beta tubulin	0.0266	0.3683	0.8642
Trypanosoma brucei	histone deacetylase 1	0.0302	0.4262	1
Trichomonas vaginalis	tubulin, putative	0.0089	0.0909	0.1028
Echinococcus granulosus	histone deacetylase 8	0.0121	0.1409	0.3222
Trypanosoma cruzi	histone deacetylase 1, putative	0.0302	0.4262	1
Mycobacterium ulcerans	penicillin-binding membrane protein PbpB	0.0665	0.9962	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0233	0.3168	0.7402
Echinococcus granulosus	tubulin alpha 3 chain	0.0233	0.3168	0.7402
Echinococcus multilocularis	histone deacetylase 7	0.0233	0.3172	0.7411
Trichomonas vaginalis	tubulin, putative	0.0089	0.0909	0.1028
Loa Loa (eye worm)	tubulin gamma chain	0.0157	0.1981	0.2205
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0059	0.0446	0.0934
Leishmania major	gamma-tubulin	0.0157	0.1981	0.4207
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0052	0.0324	0.0233
Mycobacterium leprae	Probable penicillin-binding membrane protein PbpB	0.0239	0.3262	0.5375
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0584	0.0619
Brugia malayi	tubulin alpha chain - mouse	0.0233	0.3168	0.369
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Echinococcus multilocularis	histone deacetylase 1	0.0302	0.4262	1
Echinococcus multilocularis	tubulin alpha chain	0.0233	0.3168	0.7402
Trypanosoma brucei	zeta tubulin	0.0068	0.0584	0.1371
Trichomonas vaginalis	tubulin gamma chain, putative	0.0068	0.0584	0.0619
Echinococcus granulosus	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Echinococcus granulosus	histone deacetylase 1	0.0302	0.4262	1
Toxoplasma gondii	histone deacetylase HDAC3	0.0302	0.4262	1
Schistosoma mansoni	tubulin subunit beta	0.0266	0.3683	0.4358
Loa Loa (eye worm)	BEN-1 protein	0.0266	0.3683	0.4398
Entamoeba histolytica	tubulin family protein	0.0266	0.3683	0.8483
Echinococcus granulosus	Tubulin alpha 1 chain	0.0233	0.3168	0.7402
Echinococcus granulosus	beta tubulin	0.0266	0.3683	0.8624
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Trichomonas vaginalis	histone deacetylase, putative	0.0302	0.4262	0.5251
Trypanosoma brucei	histone deacetylase 3	0.0233	0.3172	0.7443
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0059	0.0446	0.0228
Echinococcus granulosus	histone deacetylase	0.0233	0.3172	0.7411
Trypanosoma cruzi	zeta tubulin, putative	0.0068	0.0584	0.1178
Brugia malayi	Tubulin alpha chain	0.0233	0.3168	0.369
Echinococcus granulosus	tubulin alpha 1C chain	0.0233	0.3168	0.7402
Mycobacterium leprae	PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE	0.0385	0.5566	1
Plasmodium falciparum	histone deacetylase 2	0.0233	0.3172	0.7037
Trichomonas vaginalis	glutaminase, putative	0.0542	0.8031	1
Echinococcus multilocularis	peroxisome assembly protein 26	0.0233	0.3168	0.7402
Toxoplasma gondii	beta-tubulin, putative	0.0266	0.3683	0.8426
Schistosoma mansoni	lipoxygenase	0.0106	0.118	0.1111
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0075	0.0688	0.1509
Trypanosoma brucei	beta tubulin	0.0266	0.3683	0.8642
Trypanosoma brucei	alpha tubulin	0.0233	0.3168	0.7434
Brugia malayi	Histone deacetylase 1	0.0302	0.4262	0.5109
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0059	0.0446	0.0159
Echinococcus multilocularis	tubulin alpha chain	0.0233	0.3168	0.7402
Trichomonas vaginalis	tubulin beta chain, putative	0.0233	0.3168	0.3874
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0233	0.3168	0.3874
Loa Loa (eye worm)	tubulin beta-1 chain	0.0266	0.3683	0.4398
Trichomonas vaginalis	histone deacetylase, putative	0.0302	0.4262	0.5251
Mycobacterium ulcerans	bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2	0.0258	0.3561	0.3514
Plasmodium falciparum	tubulin beta chain	0.0266	0.3683	0.8426
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0106	0.118	0.2678
Plasmodium falciparum	alpha tubulin 2	0.0233	0.3168	0.7026
Trypanosoma brucei	beta tubulin	0.0266	0.3683	0.8642
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0266	0.3683	0.4522
Trypanosoma brucei	alpha tubulin, putative	0.0089	0.0909	0.2133
Plasmodium falciparum	alpha tubulin 1	0.0233	0.3168	0.7026
Trypanosoma brucei	histone deacetylase, putative	0.0233	0.3172	0.7443
Echinococcus multilocularis	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Trichomonas vaginalis	tubulin gamma chain, putative	0.0157	0.1981	0.2378
Trichomonas vaginalis	tubulin beta-1 chain, putative	0.0068	0.0584	0.0619
Loa Loa (eye worm)	hypothetical protein	0.0233	0.3168	0.3735
Trichomonas vaginalis	tubulin beta chain, putative	0.0233	0.3168	0.3874
Schistosoma mansoni	tubulin subunit beta	0.0266	0.3683	0.4358
Schistosoma mansoni	histone deacetylase 4 5	0.0233	0.3172	0.3695
Giardia lamblia	Beta tubulin	0.0266	0.3683	0.8426
Schistosoma mansoni	tubulin subunit alpha	0.0233	0.3168	0.369
Schistosoma mansoni	tubulin subunit alpha	0.0068	0.0584	0.0338
Schistosoma mansoni	alpha tubulin	0.0233	0.3168	0.369
Mycobacterium leprae	Probable penicillin-binding protein PbpA	0.0378	0.5455	0.9776
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Trypanosoma brucei	zeta tubulin, putative	0.0068	0.0584	0.1371
Echinococcus multilocularis	tubulin alpha 1C chain	0.0233	0.3168	0.7402
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0144	0.1772	0.1936
Trichomonas vaginalis	histone deacetylase, putative	0.0302	0.4262	0.5251
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0059	0.0446	0.0159
Brugia malayi	tubulin alpha-2 chain	0.0233	0.3168	0.369
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Echinococcus multilocularis	histone deacetylase	0.0233	0.3172	0.7411
Echinococcus granulosus	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Loa Loa (eye worm)	tubulin beta-4 chain	0.0266	0.3683	0.4398
Entamoeba histolytica	tubulin gamma chain	0.0157	0.1981	0.4022
Echinococcus multilocularis	histone deacetylase 6	0.0233	0.3172	0.7411
Loa Loa (eye worm)	alpha-tubulin	0.0233	0.3168	0.3735
Trichomonas vaginalis	tubulin alpha chain, putative	0.0089	0.0909	0.1028
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	0.0378	0.5455	1
Brugia malayi	Cell division protein ftsZ	0.0068	0.0584	0.0338
Trichomonas vaginalis	tubulin, putative	0.0266	0.3683	0.4522
Plasmodium vivax	histone deacetylase, putative	0.0233	0.3172	0.7037
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Loa Loa (eye worm)	tubulin alpha 2	0.0165	0.2097	0.2354
Echinococcus granulosus	tubulin beta 1 chain	0.0266	0.3683	0.8624
Plasmodium vivax	histone deacetylase 1, putative	0.0302	0.4262	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1372	0.1421
Trypanosoma brucei	tubulin delta chain	0.0068	0.0584	0.1371
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0165	0.2097	0.2354
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Plasmodium falciparum	histone deacetylase 1	0.0302	0.4262	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0233	0.3168	0.3874
Toxoplasma gondii	histone deacetylase HDAC1	0.0233	0.3172	0.7037
Trichomonas vaginalis	histone deacetylase, putative	0.0302	0.4262	0.5251
Trypanosoma brucei	histone deacetylase 4	0.0233	0.3172	0.7443
Echinococcus granulosus	tubulin alpha chain	0.0233	0.3168	0.7402
Plasmodium falciparum	histone deacetylase, putative	0.0233	0.3172	0.7037
Brugia malayi	Tubulin gamma chain	0.0157	0.1981	0.215
Loa Loa (eye worm)	tubulin alpha chain	0.0233	0.3168	0.3735
Giardia lamblia	Beta tubulin	0.0266	0.3683	0.8426
Loa Loa (eye worm)	glutaminase 2	0.0542	0.8031	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0089	0.0909	0.1028
Toxoplasma gondii	histone deacetylase HDAC4	0.0121	0.1409	0.2243
Trypanosoma brucei	epsilon tubulin	0.0157	0.1981	0.4647
Trypanosoma brucei	epsilon tubulin	0.0157	0.1981	0.4647
Trypanosoma cruzi	histone deacetylase, putative	0.0233	0.3172	0.7386
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Schistosoma mansoni	tubulin subunit alpha	0.0233	0.3168	0.369
Giardia lamblia	Beta tubulin	0.0266	0.3683	0.8426
Brugia malayi	Tubulin beta chain	0.0068	0.0584	0.0338
Echinococcus multilocularis	tubulin subunit TubB	0.0233	0.3168	0.7402

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 5.12 uM	Cytotoxicity against human PC3 cells after 72 hrs by WST1 assay	ChEMBL.	23290252

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	23290252

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: CHEMBL2324444

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1725786