TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 398.417 | Formula: C22H18N6O2
H donors: 0 H acceptors: 2 LogP: 2.59 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)Cn1cnc2c1ncnc1c2nc(=O)n1Cc1ccccc1
InChi: 1S/C22H18N6O2/c1-30-17-9-7-16(8-10-17)11-27-14-25-18-19-21(24-13-23-20(18)27)28(22(29)26-19)12-15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3
InChiKey: DYNUTYRYCZYXBF-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 alpha-1 chain	0.0233	0.3168	0.7134
Toxoplasma gondii	histone deacetylase HDAC3	0.0302	0.4262	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0233	0.3168	0.7402
Brugia malayi	Pre-SET motif family protein	0.0187	0.2455	0.2765
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Trypanosoma cruzi	histone deacetylase, putative	0.0121	0.1409	0.3157
Plasmodium vivax	histone deacetylase 2, putative	0.0233	0.3172	0.7037
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 beta chain, putative	0.0233	0.3168	0.3874
Trypanosoma brucei	beta tubulin	0.0266	0.3683	0.8642
Plasmodium falciparum	histone deacetylase, putative	0.0233	0.3172	0.7037
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0129	0.1531	0.2353
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Echinococcus multilocularis	tubulin alpha chain	0.0233	0.3168	0.7402
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0144	0.1772	0.1936
Echinococcus granulosus	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0059	0.0446	0.0934
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0266	0.3683	0.4522
Mycobacterium ulcerans	bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2	0.0258	0.3561	0.3514
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Loa Loa (eye worm)	hypothetical protein	0.0144	0.1772	0.1936
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Leishmania major	histone deacetylase, putative	0.0302	0.4262	1
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Trichomonas vaginalis	histone deacetylase, putative	0.0302	0.4262	0.5251
Plasmodium vivax	tubulin epsilon chain, putative	0.0157	0.1981	0.3797
Schistosoma mansoni	lipoxygenase	0.0074	0.0678	0.046
Echinococcus granulosus	histone deacetylase 6	0.0233	0.3172	0.7411
Brugia malayi	tubulin alpha-2 chain	0.0233	0.3168	0.369
Schistosoma mansoni	histone deacetylase hda2	0.0239	0.3268	0.3821
Trypanosoma cruzi	epsilon tubulin, putative	0.0157	0.1981	0.4528
Loa Loa (eye worm)	alpha-tubulin	0.0233	0.3168	0.3735
Schistosoma mansoni	histone deacetylase hda2	0.0121	0.1409	0.1408
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Trichomonas vaginalis	tubulin beta chain, putative	0.0233	0.3168	0.3874
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Leishmania major	epsilon tubulin, putative	0.0157	0.1981	0.4207
Echinococcus granulosus	histone deacetylase 1	0.0302	0.4262	1
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1276	0.1297
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Trichomonas vaginalis	tubulin alpha chain, putative	0.0089	0.0909	0.1028
Leishmania major	histone deacetylase, putative	0.0233	0.3172	0.7233
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Treponema pallidum	penicillin-binding protein (pbp-3)	0.0665	0.9962	0.996
Loa Loa (eye worm)	hypothetical protein	0.0233	0.3168	0.3735
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0059	0.0446	0.0846
Trypanosoma brucei	alpha tubulin	0.0233	0.3168	0.7434
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Echinococcus granulosus	tubulin beta 1 chain	0.0266	0.3683	0.8624
Toxoplasma gondii	histone deacetylase HDAC2	0.0302	0.4262	1
Mycobacterium ulcerans	bifunctional penicillin-binding protein 1A/1B PonA1	0.0385	0.5566	0.5546
Trichomonas vaginalis	tubulin beta chain, putative	0.0233	0.3168	0.3874
Loa Loa (eye worm)	hypothetical protein	0.0302	0.4262	0.5144
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Trichomonas vaginalis	tubulin, putative	0.0266	0.3683	0.4522
Mycobacterium ulcerans	glutaminase	0.0542	0.8031	0.8043
Plasmodium vivax	tubulin alpha chain, putative	0.0233	0.3168	0.7026
Echinococcus granulosus	histone deacetylase 6	0.0239	0.3268	0.764
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Loa Loa (eye worm)	beta-tubulin	0.0266	0.3683	0.4398
Echinococcus multilocularis	tubulin alpha 1C chain	0.0233	0.3168	0.7402
Echinococcus granulosus	histone deacetylase 8	0.0121	0.1409	0.3222
Mycobacterium leprae	Probable penicillin-binding protein PbpA	0.0378	0.5455	0.9776
Trypanosoma cruzi	histone deacetylase, putative	0.0233	0.3172	0.7386
Loa Loa (eye worm)	histone deacetylase 11	0.0121	0.1409	0.1469
Trypanosoma cruzi	tubulin gamma chain	0.0157	0.1981	0.4528
Echinococcus multilocularis	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Echinococcus multilocularis	tubulin beta 1 chain	0.0266	0.3683	0.8624
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0106	0.118	0.2678
Trypanosoma brucei	alpha tubulin	0.0233	0.3168	0.7434
Trypanosoma brucei	histone deacetylase, putative	0.0233	0.3172	0.7443
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0165	0.2097	0.2354
Schistosoma mansoni	tubulin subunit beta	0.0266	0.3683	0.4358
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0075	0.0688	0.0473
Trypanosoma brucei	epsilon tubulin	0.0157	0.1981	0.4647
Trypanosoma brucei	zeta tubulin	0.0068	0.0584	0.1371
Trypanosoma cruzi	histone deacetylase 1, putative	0.0302	0.4262	1
Trichomonas vaginalis	histone deacetylase, putative	0.0302	0.4262	0.5251
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Echinococcus multilocularis	histone deacetylase 7	0.0233	0.3172	0.7411
Trypanosoma brucei	beta tubulin	0.0266	0.3683	0.8642
Echinococcus granulosus	histone deacetylase	0.0233	0.3172	0.7411
Leishmania major	zeta tubulin, putative	0.0068	0.0584	0.0662
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0129	0.1531	0.19
Plasmodium vivax	histone deacetylase 1, putative	0.0302	0.4262	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0263	0.3644	0.325
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Leishmania major	gamma-tubulin	0.0157	0.1981	0.4207
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Echinococcus granulosus	beta tubulin	0.0266	0.3683	0.8624
Loa Loa (eye worm)	BEN-1 protein	0.0266	0.3683	0.4398
Trypanosoma brucei	tubulin gamma chain	0.0157	0.1981	0.4647
Loa Loa (eye worm)	tubulin beta chain	0.0266	0.3683	0.4398
Trichomonas vaginalis	tubulin gamma chain, putative	0.0157	0.1981	0.2378
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0233	0.3168	0.3874
Echinococcus granulosus	tubulin alpha chain	0.0233	0.3168	0.7402
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0233	0.3168	0.7402
Echinococcus granulosus	alpha tubulin	0.0233	0.3168	0.7402
Echinococcus granulosus	peroxisome assembly protein 26	0.0233	0.3168	0.7402
Giardia lamblia	Beta tubulin	0.0266	0.3683	0.8426
Plasmodium falciparum	histone deacetylase 2	0.0233	0.3172	0.7037
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0059	0.0446	0.0846
Brugia malayi	Tubulin beta chain	0.0089	0.0909	0.076
Echinococcus multilocularis	tubulin alpha chain	0.0233	0.3168	0.7402
Trichomonas vaginalis	glutaminase, putative	0.0542	0.8031	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0266	0.3683	0.8624
Trypanosoma brucei	beta tubulin	0.0266	0.3683	0.8642
Echinococcus multilocularis	tubulin alpha	0.0157	0.1981	0.458
Entamoeba histolytica	histone deacetylase, putative	0.0302	0.4262	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0059	0.0446	0.0159
Entamoeba histolytica	tubulin family protein	0.0266	0.3683	0.8483
Loa Loa (eye worm)	tubulin alpha 2	0.0165	0.2097	0.2354
Schistosoma mansoni	tubulin subunit beta	0.0266	0.3683	0.4358
Trypanosoma cruzi	histone deacetylase, putative	0.0233	0.3172	0.7386
Brugia malayi	glutaminase DH11.1	0.0542	0.8031	1
Echinococcus granulosus	tubulin alpha chain	0.0233	0.3168	0.7402
Trypanosoma cruzi	histone deacetylase, putative	0.0121	0.1409	0.3157
Echinococcus granulosus	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0052	0.0324	0.0233
Plasmodium vivax	tubulin gamma chain, putative	0.0157	0.1981	0.3797
Schistosoma mansoni	lipoxygenase	0.0106	0.118	0.1111
Plasmodium vivax	tubulin beta chain, putative	0.0266	0.3683	0.8426
Trichomonas vaginalis	tubulin, putative	0.0089	0.0909	0.1028
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0068	0.0584	0.0619
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0263	0.3644	0.8382
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Trypanosoma cruzi	histone deacetylase 1, putative	0.0302	0.4262	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0165	0.2097	0.2524
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Loa Loa (eye worm)	tubulin alpha chain	0.0233	0.3168	0.3735
Schistosoma mansoni	tubulin subunit beta	0.0266	0.3683	0.4358
Echinococcus granulosus	tubulin alpha chain	0.0233	0.3168	0.7402
Trichomonas vaginalis	tubulin alpha chain, putative	0.0089	0.0909	0.1028
Echinococcus granulosus	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Giardia lamblia	Alpha-tubulin	0.0233	0.3168	0.7026
Plasmodium falciparum	tubulin gamma chain	0.0157	0.1981	0.3797
Trypanosoma brucei	alpha tubulin	0.0233	0.3168	0.7434
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Trichomonas vaginalis	set domain proteins, putative	0.0213	0.2861	0.3487
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0144	0.1772	0.2115
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Plasmodium falciparum	histone deacetylase 1	0.0302	0.4262	1
Brugia malayi	alpha-tubulin	0.0233	0.3168	0.369
Echinococcus multilocularis	histone deacetylase 3	0.0302	0.4262	1
Mycobacterium tuberculosis	Probable penicillin-binding membrane protein PbpB	0.0239	0.3262	0.5727
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0059	0.0446	0.0934
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Schistosoma mansoni	histone deacetylase 4 5	0.0233	0.3172	0.3695
Echinococcus granulosus	tubulin alpha 1C chain	0.0233	0.3168	0.7402
Onchocerca volvulus		0.0089	0.0909	0.1017
Loa Loa (eye worm)	tubulin beta-2A chain	0.0266	0.3683	0.4398
Echinococcus multilocularis	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Loa Loa (eye worm)	histone deacetylase 1	0.0302	0.4262	0.5144
Loa Loa (eye worm)	glutaminase	0.0542	0.8031	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0037	0.0093	0.0219
Giardia lamblia	Gamma tubulin	0.0157	0.1981	0.3797
Loa Loa (eye worm)	BEN-1 protein	0.0266	0.3683	0.4398
Echinococcus multilocularis	beta tubulin	0.0266	0.3683	0.8624
Echinococcus multilocularis	peroxisome assembly protein 26	0.0233	0.3168	0.7402
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0233	0.3168	0.3874
Trypanosoma cruzi	epsilon tubulin, putative	0.0157	0.1981	0.4528
Loa Loa (eye worm)	tubulin alpha 2	0.0076	0.07	0.0556
Trypanosoma cruzi	histone deacetylase, putative	0.0233	0.3172	0.7386
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Mycobacterium tuberculosis	Probable penicillin-binding protein PbpA	0.0378	0.5455	1
Entamoeba histolytica	tubulin alpha chain, putative	0.0233	0.3168	0.7134
Echinococcus multilocularis	histone deacetylase 6	0.0239	0.3268	0.764
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0059	0.0446	0.0228
Echinococcus granulosus	histone deacetylase 7	0.0233	0.3172	0.7411
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0059	0.0446	0.031
Trypanosoma brucei	beta tubulin	0.0266	0.3683	0.8642
Trypanosoma brucei	epsilon tubulin	0.0157	0.1981	0.4647
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0233	0.3168	0.7402
Plasmodium falciparum	alpha tubulin 1	0.0233	0.3168	0.7026
Echinococcus granulosus	tubulin gamma 1 chain	0.0157	0.1981	0.458
Schistosoma mansoni	histone deacetylase	0.0302	0.4262	0.5109
Schistosoma mansoni	tubulin subunit alpha	0.0068	0.0584	0.0338
Trypanosoma cruzi	tubulin delta chain	0.0068	0.0584	0.1178
Trichomonas vaginalis	tubulin beta chain, putative	0.0233	0.3168	0.3874
Loa Loa (eye worm)	hypothetical protein	0.0165	0.2097	0.2354
Echinococcus multilocularis	tubulin delta chain	0.0068	0.0584	0.1262
Echinococcus multilocularis	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Giardia lamblia	Histone deacetylase	0.0302	0.4262	1
Trypanosoma cruzi	alpha tubulin, putative	0.0233	0.3168	0.7377
Toxoplasma gondii	beta-tubulin, putative	0.0266	0.3683	0.8426
Brugia malayi	Histone deacetylase family protein	0.0233	0.3172	0.3695
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0584	0.0619
Trypanosoma brucei	histone deacetylase 4	0.0233	0.3172	0.7443
Schistosoma mansoni	tubulin subunit beta	0.0266	0.3683	0.4358
Echinococcus granulosus	L aminoadipate semialdehyde	0.0075	0.0688	0.1509
Schistosoma mansoni	histone deacetylase 4 5	0.0233	0.3172	0.3695
Echinococcus multilocularis	histone deacetylase	0.0233	0.3172	0.7411
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0266	0.3683	0.4522
Trichomonas vaginalis	conserved hypothetical protein	0.0385	0.5566	0.6895
Echinococcus granulosus	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Trypanosoma brucei	DNA polymerase IV, putative	0.0037	0.0093	0.0219
Trypanosoma brucei	histone deacetylase 3	0.0233	0.3172	0.7443
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Echinococcus granulosus	tubulin subunit TubB	0.0233	0.3168	0.7402
Plasmodium falciparum	tubulin epsilon chain, putative	0.0157	0.1981	0.3797
Loa Loa (eye worm)	hypothetical protein	0.0075	0.0688	0.054
Echinococcus multilocularis	histone deacetylase 8	0.0121	0.1409	0.3222
Trichomonas vaginalis	tubulin gamma chain, putative	0.0266	0.3683	0.4522
Echinococcus granulosus	tubulin subunit beta	0.0266	0.3683	0.8624
Mycobacterium ulcerans	penicillin-binding lipoprotein	0.0137	0.1668	0.1595
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0075	0.0688	0.0473
Trichomonas vaginalis	tubulin gamma chain, putative	0.0068	0.0584	0.0619
Toxoplasma gondii	alpha-tubulin I, putative	0.0233	0.3168	0.7026
Plasmodium falciparum	tubulin beta chain	0.0266	0.3683	0.8426
Echinococcus granulosus	tubulin alpha 3 chain	0.0233	0.3168	0.7402
Loa Loa (eye worm)	hypothetical protein	0.0121	0.1409	0.1469
Loa Loa (eye worm)	tubulin beta chain	0.0068	0.0584	0.0406
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0233	0.3168	0.3735
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0052	0.0324	0.0643
Echinococcus multilocularis	histone deacetylase 6	0.0233	0.3172	0.7411
Loa Loa (eye worm)	tubulin beta-4 chain	0.0266	0.3683	0.4398
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN	0.0258	0.3561	0.5976
Plasmodium vivax	histone deacetylase, putative	0.0233	0.3172	0.7037
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0052	0.0324	0.0233
Loa Loa (eye worm)	histone deacetylase	0.0233	0.3172	0.374
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1372	0.1421
Trypanosoma brucei	alpha tubulin	0.0233	0.3168	0.7434
Echinococcus multilocularis	histone deacetylase 1	0.0302	0.4262	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0233	0.3168	0.7402
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0121	0.1409	0.3318
Loa Loa (eye worm)	tubulin gamma chain	0.0157	0.1981	0.2205
Trichomonas vaginalis	tubulin, putative	0.0089	0.0909	0.1028
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Echinococcus granulosus	dna polymerase kappa	0.0037	0.0093	0.0096
Brugia malayi	beta-tubulin, identical	0.0266	0.3683	0.4358
Schistosoma mansoni	alpha tubulin	0.0233	0.3168	0.369
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Toxoplasma gondii	alpha tubulin TUBA1	0.0233	0.3168	0.7026
Trypanosoma cruzi	tubulin delta chain	0.0068	0.0584	0.1178
Brugia malayi	Tubulin alpha chain	0.0068	0.0584	0.0338
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0302	0.4262	0.5251
Giardia lamblia	Fructose-bisphosphate aldolase	0.0263	0.3644	0.8321
Toxoplasma gondii	histone deacetylase HDAC5	0.0121	0.1409	0.2243
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Trichomonas vaginalis	tubulin alpha chain, putative	0.0089	0.0909	0.1028
Schistosoma mansoni	tubulin subunit beta	0.0068	0.0584	0.0338
Leishmania major	histone deacetylase, putative	0.0302	0.4262	1
Toxoplasma gondii	histone deacetylase HDAC1	0.0233	0.3172	0.7037
Leishmania major	histone deacetylase, putative	0.0233	0.3172	0.7233
Echinococcus granulosus	beta tubulin	0.0266	0.3683	0.8624
Trichomonas vaginalis	tubulin beta-1 chain, putative	0.0068	0.0584	0.0619
Echinococcus multilocularis	histone deacetylase 6	0.0233	0.3172	0.7411
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Echinococcus granulosus	tubulin alpha 3 chain	0.0233	0.3168	0.7402
Trypanosoma cruzi	zeta tubulin, putative	0.0068	0.0584	0.1178
Plasmodium vivax	histone deacetylase, putative	0.0121	0.1409	0.2243
Trichomonas vaginalis	tubulin beta chain, putative	0.0233	0.3168	0.3874
Loa Loa (eye worm)	tubulin alpha 2	0.0165	0.2097	0.2354
Trichomonas vaginalis	tubulin gamma chain, putative	0.0157	0.1981	0.2378
Trypanosoma brucei	tubulin delta chain	0.0068	0.0584	0.1371
Onchocerca volvulus		0.0213	0.2861	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0302	0.4262	0.5251
Echinococcus granulosus	tubulin delta chain	0.0068	0.0584	0.1262
Loa Loa (eye worm)	histone deacetylase 7A	0.0233	0.3172	0.374
Brugia malayi	Tubulin alpha chain	0.0233	0.3168	0.369
Mycobacterium tuberculosis	Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase	0.0128	0.1518	0.2327
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0068	0.0584	0.0508
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Brugia malayi	tubulin alpha chain - mouse	0.0233	0.3168	0.369
Loa Loa (eye worm)	glutaminase 2	0.0542	0.8031	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0302	0.4262	0.5251
Treponema pallidum	penicillin-binding protein (pbp-2)	0.0385	0.5566	0.5291
Echinococcus multilocularis	hypothetical protein	0.0233	0.3168	0.7402
Trypanosoma brucei	histone deacetylase 1	0.0302	0.4262	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0233	0.3168	0.3874
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Echinococcus granulosus	tubulin alpha chain	0.0233	0.3168	0.7402
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Trypanosoma brucei	beta tubulin	0.0157	0.1981	0.4647
Toxoplasma gondii	beta-1 tubulin, putative	0.0266	0.3683	0.8426
Echinococcus granulosus	tubulin alpha	0.0157	0.1981	0.458
Echinococcus granulosus	histone deacetylase 3	0.0302	0.4262	1
Echinococcus granulosus	tubulin epsilon chain	0.0157	0.1981	0.458
Plasmodium falciparum	alpha tubulin 2	0.0233	0.3168	0.7026
Trichomonas vaginalis	histone deacetylase, putative	0.0302	0.4262	0.5251
Echinococcus granulosus	Tubulin alpha 1 chain	0.0233	0.3168	0.7402
Mycobacterium tuberculosis	Possible penicillin-binding lipoprotein	0.0137	0.1668	0.2619
Loa Loa (eye worm)	tubulin alpha chain	0.0233	0.3168	0.3735
Giardia lamblia	Beta tubulin	0.0266	0.3683	0.8426
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Echinococcus multilocularis	tubulin subunit beta	0.0266	0.3683	0.8624
Trypanosoma brucei	zeta tubulin, putative	0.0068	0.0584	0.1371
Schistosoma mansoni	tubulin subunit alpha	0.0233	0.3168	0.369
Schistosoma mansoni	alpha tubulin	0.0233	0.3168	0.369
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0093	0.0219
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Echinococcus granulosus	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Echinococcus granulosus	tubulin alpha chain	0.0233	0.3168	0.7402
Giardia lamblia	Beta tubulin	0.0266	0.3683	0.8426
Brugia malayi	histone deacetylase 3 (HD3)	0.0302	0.4262	0.5109
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0584	0.0619
Mycobacterium ulcerans	cell division protein FtsZ	0.0068	0.0584	0.0498
Mycobacterium leprae	PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE	0.0385	0.5566	1
Trichomonas vaginalis	histone deacetylase, putative	0.0302	0.4262	0.5251
Echinococcus multilocularis	tubulin epsilon chain	0.0157	0.1981	0.458
Schistosoma mansoni	tubulin subunit epsilon	0.0157	0.1981	0.215
Leishmania major	alpha tubulin	0.0233	0.3168	0.7223
Trypanosoma brucei	histone deacetylase 2	0.0121	0.1409	0.3306
Echinococcus multilocularis	beta tubulin	0.0266	0.3683	0.8624
Leishmania major	delta tubulin, putative	0.0068	0.0584	0.0662
Schistosoma mansoni	glutaminase	0.0542	0.8031	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0233	0.3168	0.7402
Echinococcus granulosus	histone deacetylase 6	0.0233	0.3172	0.7411
Trypanosoma brucei	alpha tubulin, putative	0.0089	0.0909	0.2133
Echinococcus granulosus	Tubulin alpha 1 chain	0.0233	0.3168	0.7402
Brugia malayi	Tubulin alpha-2 chain	0.0233	0.3168	0.369
Trypanosoma brucei	epsilon tubulin	0.0157	0.1981	0.4647
Giardia lamblia	Alpha-tubulin	0.0233	0.3168	0.7026
Brugia malayi	histone deacetylase 11	0.0121	0.1409	0.1408
Trichomonas vaginalis	tubulin alpha chain, putative	0.0157	0.1981	0.2378
Mycobacterium leprae	Probable penicillin-binding membrane protein PbpB	0.0239	0.3262	0.5375
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0106	0.118	0.2678
Echinococcus multilocularis	tubulin alpha 3 chain	0.0233	0.3168	0.7402
Echinococcus multilocularis	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0263	0.3644	0.4474
Echinococcus multilocularis	tubulin subunit TubB	0.0233	0.3168	0.7402
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0052	0.0324	0.0643
Schistosoma mansoni	tubulin subunit gamma	0.0157	0.1981	0.215
Echinococcus granulosus	tubulin beta 4A class IVa	0.0266	0.3683	0.8624
Brugia malayi	Cell division protein ftsZ	0.0068	0.0584	0.0338
Trypanosoma cruzi	beta tubulin, putative	0.0266	0.3683	0.8611
Schistosoma mansoni	tubulin subunit alpha	0.0233	0.3168	0.369
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0263	0.3644	0.8382
Schistosoma mansoni	tubulin subunit beta	0.0266	0.3683	0.4358
Brugia malayi	Tubulin gamma chain	0.0157	0.1981	0.215
Loa Loa (eye worm)	tubulin beta-1 chain	0.0266	0.3683	0.4398
Brugia malayi	Tubulin beta-1 chain	0.0266	0.3683	0.4358
Echinococcus multilocularis	tubulin alpha chain	0.0233	0.3168	0.7402
Brugia malayi	Tubulin beta chain	0.0068	0.0584	0.0338
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0059	0.0446	0.1046
Trichomonas vaginalis	tubulin beta chain, putative	0.0266	0.3683	0.4522
Brugia malayi	Tubulin alpha-2 chain	0.0233	0.3168	0.369
Echinococcus multilocularis	tubulin alpha chain	0.0233	0.3168	0.7402
Mycobacterium ulcerans	penicillin-binding membrane protein PbpB	0.0665	0.9962	1
Toxoplasma gondii	beta tubulin	0.0266	0.3683	0.8426
Brugia malayi	Histone deacetylase 1	0.0302	0.4262	0.5109
Entamoeba histolytica	tubulin family protein	0.0266	0.3683	0.8483
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0059	0.0446	0.0159
Trichomonas vaginalis	tubulin beta chain, putative	0.0233	0.3168	0.3874
Plasmodium vivax	tubulin alpha chain, putative	0.0233	0.3168	0.7026
Echinococcus granulosus	tubulin alpha 1C chain	0.0233	0.3168	0.7402
Schistosoma mansoni	histone deacetylase 1 2 3	0.0121	0.1409	0.1408
Trypanosoma cruzi	zeta tubulin, putative	0.0068	0.0584	0.1178
Schistosoma mansoni	tubulin subunit beta	0.0266	0.3683	0.4358
Loa Loa (eye worm)	alpha-tubulin	0.0233	0.3168	0.3735
Trichomonas vaginalis	tubulin, putative	0.0068	0.0584	0.0619
Loa Loa (eye worm)	histone deacetylase 3	0.0302	0.4262	0.5144
Schistosoma mansoni	tubulin subunit delta	0.0068	0.0584	0.0338
Schistosoma mansoni	alpha tubulin	0.0233	0.3168	0.369
Brugia malayi	histone deacetylase 1 (HD1)	0.0302	0.4262	0.5109
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0075	0.0688	0.1509
Echinococcus multilocularis	dna polymerase kappa	0.0037	0.0093	0.0096
Brugia malayi	Histone deacetylase family protein	0.0233	0.3172	0.3695
Toxoplasma gondii	histone deacetylase HDAC4	0.0121	0.1409	0.2243
Echinococcus multilocularis	tubulin alpha chain	0.0233	0.3168	0.7402
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0187	0.2455	0.2816
Entamoeba histolytica	tubulin gamma chain	0.0157	0.1981	0.4022
Trichomonas vaginalis	tubulin beta chain, putative	0.0089	0.0909	0.1028
Schistosoma mansoni	tubulin subunit alpha	0.0233	0.3168	0.369
Echinococcus multilocularis	tubulin alpha 3 chain	0.0233	0.3168	0.7402
Mycobacterium ulcerans	penicillin-binding protein PbpA	0.0378	0.5455	0.5433
Mycobacterium tuberculosis	Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen	0.0258	0.3561	0.631
Schistosoma mansoni	histone deacetylase	0.0302	0.4262	0.5109
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0157	0.1981	0.3797
Echinococcus multilocularis	Tubulin beta 2C chain	0.0266	0.3683	0.8624
Leishmania major	beta tubulin	0.0266	0.3683	0.853
Mycobacterium leprae	POSSIBLE PENICILLIN-BINDING LIPOPROTEIN	0.0137	0.1668	0.2175
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0129	0.1531	0.1457
Trichomonas vaginalis	histone deacetylase, putative	0.0302	0.4262	0.5251
Trichomonas vaginalis	tubulin alpha chain, putative	0.0266	0.3683	0.4522
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0089	0.0909	0.1028

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 1.7 uM	Cytotoxicity against human A549 cells after 72 hrs by WST1 assay	ChEMBL.	21572541
IC50 (functional)	= 1.8 uM	Cytotoxicity against human H460 cells after 72 hrs by WST1 assay	ChEMBL.	21572541
IC50 (functional)	= 2.3 uM	Cytotoxicity against human MDA-MB-231 cells after 72 hrs by WST1 assay	ChEMBL.	21572541
IC50 (functional)	= 4.05 uM	Cytotoxicity against human PC3 cells after 72 hrs by WST1 assay	ChEMBL.	21572541
IC50 (functional)	= 4.05 uM	Cytotoxicity against human PC3 cells after 72 hrs by WST1 assay	ChEMBL.	23290252
IC50 (functional)	= 5 uM	Cytotoxicity against human OVCAR3 cells after 72 hrs by WST1 assay	ChEMBL.	21572541
IC50 (functional)	= 7 uM	Cytotoxicity against human MCF7 cells after 72 hrs by WST1 assay	ChEMBL.	21572541

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21572541

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: CHEMBL1672985

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1505136