TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 412.869 | Formula: C21H21ClN4O3
H donors: 1 H acceptors: 3 LogP: 3.59 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: COc1cccc(c1)NC(=O)CN(C(=O)c1c(C)nn(c1Cl)c1ccccc1)C
InChi: 1S/C21H21ClN4O3/c1-14-19(20(22)26(24-14)16-9-5-4-6-10-16)21(28)25(2)13-18(27)23-15-8-7-11-17(12-15)29-3/h4-12H,13H2,1-3H3,(H,23,27)
InChiKey: WAHOVQYKNFFAMY-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
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0096	0.007
Leishmania major	ATP-binding cassette protein subfamily G, member 4, putative	0.001	0.0065	0.004
Giardia lamblia	Beta tubulin	0.0233	1	1
Mycobacterium ulcerans	cell division protein FtsZ	0.0057	0.2153	1
Entamoeba histolytica	P-glyco protein 6, putative	0.001	0.0096	0.007
Echinococcus multilocularis	multidrug resistance protein 1	0.001	0.0096	0.007
Schistosoma mansoni	smdr2	0.001	0.0096	0.0096
Onchocerca volvulus		0.0031	0.0991	0.3338
Echinococcus granulosus	multidrug resistance protein 1	0.001	0.0096	0.007
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Trichomonas vaginalis	tubulin beta chain, putative	0.0074	0.2918	0.29
Toxoplasma gondii	beta tubulin	0.0233	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.7931	0.7925
Schistosoma mansoni	aldo-keto reductase	0.0031	0.0991	0.0991
Brugia malayi	NADH-dependent xylose reductase	0.0009	0.0026	0.0026
Trichomonas vaginalis	ABC transporter, putative	0.001	0.0096	0.007
Echinococcus multilocularis	ATP binding cassette sub family B	0.001	0.0086	0.006
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0187	0.7931	0.7925
Trichomonas vaginalis	tubulin, putative	0.0074	0.2918	0.29
Echinococcus granulosus	tubulin alpha chain	0.0187	0.7931	0.7925
Echinococcus granulosus	multidrug resistance protein 1	0.001	0.0096	0.007
Echinococcus granulosus	tubulin alpha	0.0131	0.5439	0.5428
Trichomonas vaginalis	tubulin alpha chain, putative	0.0131	0.5439	0.5428
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0991	0.0968
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.001	0.0086	0.006
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.001	0.0096	0.007
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.013	0.5409	0.5409
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0113	0.4645	0.4645
Plasmodium falciparum	multidrug resistance protein 1	0.001	0.0096	0.007
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.013	0.5409	0.5397
Leishmania major	beta tubulin	0.0233	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0233	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0187	0.7931	0.7925
Trypanosoma brucei	zeta tubulin, putative	0.0057	0.2153	0.2133
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0991	0.0968
Echinococcus granulosus	Tubulin beta 2C chain	0.0233	1	1
Trypanosoma cruzi	epsilon tubulin, putative	0.0131	0.5439	0.5428
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Echinococcus multilocularis	tubulin delta chain	0.0057	0.2153	0.2133
Echinococcus multilocularis	ATP binding cassette sub family G	0.001	0.0065	0.004
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0096	0.007
Schistosoma mansoni	alpha tubulin	0.0187	0.7931	0.7931
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0991	0.0991
Mycobacterium leprae	Conserved hypothetical protein	0.0022	0.0597	0.2687
Leishmania major	beta tubulin	0.0233	1	1
Toxoplasma gondii	beta-tubulin, putative	0.0233	1	1
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0991	0.0968
Loa Loa (eye worm)	tubulin alpha 2	0.013	0.5409	0.5409
Brugia malayi	tubulin alpha chain - mouse	0.0187	0.7931	0.7931
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0057	0.2153	1
Trichomonas vaginalis	tubulin beta-1 chain, putative	0.0057	0.2153	0.2133
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0233	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.0233	1	1
Plasmodium falciparum	ABC transporter G family member 2	0.001	0.0065	0.004
Brugia malayi	Tubulin beta chain	0.0057	0.2153	0.2153
Plasmodium falciparum	alpha tubulin 1	0.0187	0.7931	0.7925
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0991	0.0968
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0131	0.5439	0.5428
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.7931	0.7925
Loa Loa (eye worm)	tubulin beta chain	0.0233	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0233	1	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0991	0.0991
Leishmania major	beta tubulin	0.0233	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0187	0.7931	0.7925
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0991	0.0968
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0096	0.007
Echinococcus granulosus	Tubulin alpha 1 chain	0.0187	0.7931	0.7925
Leishmania major	beta tubulin	0.0233	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0096	0.007
Onchocerca volvulus		0.0031	0.0991	0.3338
Echinococcus multilocularis	beta tubulin	0.0233	1	1
Leishmania major	alpha tubulin	0.0187	0.7931	0.7925
Entamoeba histolytica	tubulin family protein	0.0233	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0991	0.0968
Trypanosoma cruzi	ABC transporter, putative	0.001	0.0065	0.004
Loa Loa (eye worm)	hypothetical protein	0.0187	0.7931	0.7931
Giardia lamblia	Alpha-tubulin	0.0187	0.7931	0.7919
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0991	0.0968
Leishmania major	alpha tubulin	0.0187	0.7931	0.7925
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Echinococcus multilocularis	Tubulin beta 2C chain	0.0233	1	1
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0991	0.0968
Echinococcus granulosus	peroxisome assembly protein 26	0.0187	0.7931	0.7925
Echinococcus granulosus	aldehyde reductase	0.0022	0.0597	0.0573
Trypanosoma cruzi	tubulin gamma chain	0.0131	0.5439	0.5428
Leishmania major	beta tubulin	0.0233	1	1
Schistosoma mansoni	tubulin subunit epsilon	0.0131	0.5439	0.5439
Echinococcus granulosus	tubulin epsilon chain	0.0131	0.5439	0.5428
Leishmania major	alpha tubulin	0.0187	0.7931	0.7925
Trypanosoma cruzi	aldo-keto reductase	0.0031	0.0991	0.0968
Plasmodium falciparum	tubulin gamma chain	0.0131	0.5439	0.5428
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0991	0.0968
Trichomonas vaginalis	abcb9, putative	0.001	0.0096	0.007
Loa Loa (eye worm)	BEN-1 protein	0.0233	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.7931	0.7925
Plasmodium vivax	tubulin alpha chain, putative	0.0187	0.7931	0.7925
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Leishmania major	gamma-tubulin	0.0131	0.5439	0.5428
Loa Loa (eye worm)	multidrug resistance protein 3	0.001	0.0096	0.0096
Entamoeba histolytica	P-glycoprotein-1	0.001	0.0096	0.007
Trypanosoma brucei	epsilon tubulin	0.0131	0.5439	0.5428
Trichomonas vaginalis	tubulin alpha chain, putative	0.0074	0.2918	0.29
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0991	0.0968
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0991	0.0968
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0991	0.0991
Leishmania major	alpha tubulin	0.0187	0.7931	0.7925
Entamoeba histolytica	tubulin gamma chain	0.0131	0.5439	0.5428
Echinococcus multilocularis	tubulin gamma 1 chain	0.0131	0.5439	0.5428
Leishmania major	alpha tubulin	0.0187	0.7931	0.7925
Echinococcus granulosus	ATP binding cassette sub family G	0.001	0.0065	0.004
Leishmania major	beta tubulin	0.0233	1	1
Brugia malayi	tubulin alpha-2 chain	0.0187	0.7931	0.7931
Trichomonas vaginalis	tubulin, putative	0.0057	0.2153	0.2133
Leishmania major	alpha tubulin	0.0187	0.7931	0.7925
Leishmania major	alpha tubulin	0.0187	0.7931	0.7925
Echinococcus granulosus	tubulin alpha 3 chain	0.0187	0.7931	0.7925
Brugia malayi	ABC transporter family protein	0.001	0.0096	0.0096
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0009	0.0026	0.0026
Echinococcus granulosus	hypothetical protein	0.0031	0.0991	0.0968
Trypanosoma cruzi	epsilon tubulin, putative	0.0131	0.5439	0.5428
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.001	0.0065	0.0186
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0096	0.007
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0031	0.0991	0.4538
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.001	0.0096	0.0329
Trypanosoma brucei	ABC transporter, putative	0.001	0.0065	0.004
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0991	0.0968
Trichomonas vaginalis	tubulin, putative	0.0233	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0.2153	0.2133
Brugia malayi	Tubulin alpha chain	0.0187	0.7931	0.7931
Echinococcus multilocularis	ATP binding cassette sub family G	0.001	0.0065	0.004
Mycobacterium tuberculosis	Probable oxidoreductase	0.0031	0.0991	0.4538
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0031	0.0991	0.0968
Brugia malayi	beta-tubulin, identical	0.0233	1	1
Trypanosoma brucei	alpha tubulin	0.0187	0.7931	0.7925
Leishmania major	prostaglandin f synthase, putative	0.0031	0.0991	0.0968
Trichomonas vaginalis	abcb9, putative	0.001	0.0096	0.007
Echinococcus granulosus	tubulin alpha chain	0.0187	0.7931	0.7925
Schistosoma mansoni	tubulin subunit beta	0.0233	1	1
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.001	0.0096	0.5
Echinococcus granulosus	beta tubulin	0.0233	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0187	0.7931	0.7925
Toxoplasma gondii	beta-1 tubulin, putative	0.0233	1	1
Entamoeba histolytica	P-glycoprotein-2, putative	0.001	0.0096	0.007
Echinococcus granulosus	ATP binding cassette sub family G	0.001	0.0065	0.004
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0187	0.7931	0.7925
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0096	0.007
Schistosoma mansoni	multidrug resistance protein	0.001	0.0096	0.0096
Plasmodium vivax	multidrug resistance protein 1, putative	0.001	0.0096	0.007
Trypanosoma brucei	alpha tubulin, putative	0.0074	0.2918	0.29
Leishmania major	beta tubulin	0.0233	1	1
Brugia malayi	multidrug resistance protein 3	0.001	0.0096	0.0096
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.7931	0.7925
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.001	0.0096	0.007
Brugia malayi	Tubulin alpha-2 chain	0.0187	0.7931	0.7931
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0096	0.007
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0096	0.007
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Loa Loa (eye worm)	tubulin beta-1 chain	0.0233	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.0096	0.007
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0009	0.0026	0.0026
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.001	0.0065	0.0186
Loa Loa (eye worm)	alpha-tubulin	0.0187	0.7931	0.7931
Echinococcus granulosus	tubulin alpha 3 chain	0.0187	0.7931	0.7925
Echinococcus multilocularis	multidrug resistance protein 1	0.001	0.0096	0.007
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.0096	0.007
Leishmania major	beta tubulin	0.0233	1	1
Schistosoma mansoni	ATP-binding cassette sub-family g2 (white protein) (abcg2)	0.001	0.0065	0.0065
Toxoplasma gondii	ATP-binding cassette G family transporter ABCG84	0.001	0.0065	0.004
Echinococcus granulosus	multidrug resistance protein 1	0.001	0.0096	0.007
Schistosoma mansoni	pol-related	0.0031	0.0991	0.0991
Trypanosoma cruzi	aldo/keto reductase, putative	0.0031	0.0991	0.0968
Echinococcus multilocularis	Tubulin beta 2C chain	0.0233	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0991	0.0968
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.001	0.0065	0.0186
Onchocerca volvulus		0.0031	0.0991	0.3338
Trichomonas vaginalis	tubulin alpha chain, putative	0.0074	0.2918	0.29
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0991	0.0991
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.001	0.0096	0.007
Echinococcus granulosus	aldo keto reductase	0.0031	0.0991	0.0968
Leishmania major	alpha tubulin	0.0187	0.7931	0.7925
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0233	1	1
Leishmania major	alpha tubulin	0.0187	0.7931	0.7925
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0096	0.007
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0096	0.007
Trichomonas vaginalis	tubulin, putative	0.0074	0.2918	0.29
Schistosoma mansoni	tubulin subunit beta	0.0233	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0187	0.7931	0.7931
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0991	0.0991
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0074	0.2918	0.29
Trypanosoma cruzi	ATP-binding cassette protein, putative	0.001	0.0065	0.004
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0991	0.0968
Entamoeba histolytica	P-glycoprotein-2	0.001	0.0096	0.007
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0113	0.4645	0.4631
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0991	0.0968
Echinococcus granulosus	aldo keto reductase	0.0031	0.0991	0.0968
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0991	0.0991
Echinococcus granulosus	alpha tubulin	0.0187	0.7931	0.7925
Trypanosoma brucei	tubulin delta chain	0.0057	0.2153	0.2133
Trypanosoma brucei	zeta tubulin	0.0057	0.2153	0.2133
Echinococcus granulosus	ATP binding cassette sub family G	0.001	0.0065	0.004
Echinococcus granulosus	Tubulin alpha 1 chain	0.0187	0.7931	0.7925
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.0096	0.007
Brugia malayi	Tubulin alpha chain	0.0057	0.2153	0.2153
Loa Loa (eye worm)	hypothetical protein	0.001	0.0096	0.0096
Echinococcus multilocularis	tubulin alpha 1C chain	0.0187	0.7931	0.7925
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0991	0.0991
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.7931	0.7925
Trichomonas vaginalis	ABC transporter, putative	0.001	0.0096	0.007
Schistosoma mansoni	tubulin subunit gamma	0.0131	0.5439	0.5439
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0233	1	1
Giardia lamblia	Aldose reductase	0.0031	0.0991	0.0941
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0031	0.0991	0.0968
Brugia malayi	Cell division protein ftsZ	0.0057	0.2153	0.2153
Echinococcus multilocularis	ATP binding cassette sub family G	0.001	0.0065	0.004
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0031	0.0991	0.0991
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0991	0.0968
Leishmania major	beta tubulin	0.0233	1	1
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0991	0.0968
Schistosoma mansoni	multidrug resistance protein	0.001	0.0096	0.0096
Loa Loa (eye worm)	tubulin beta-2A chain	0.0233	1	1
Loa Loa (eye worm)	hypothetical protein	0.013	0.5409	0.5409
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Echinococcus granulosus	tubulin beta 4A class IVa	0.0233	1	1
Giardia lamblia	Beta tubulin	0.0233	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0074	0.2918	0.29
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.7931	0.7931
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.7931	0.7925
Entamoeba histolytica	tubulin alpha chain, putative	0.0187	0.7931	0.7925
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0057	0.2153	0.2133
Mycobacterium ulcerans	oxidoreductase	0.0031	0.0991	0.4538
Plasmodium falciparum	tubulin beta chain	0.0233	1	1
Leishmania major	beta tubulin	0.0233	1	1
Echinococcus granulosus	tubulin subunit beta	0.0233	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.7931	0.7931
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.001	0.0096	0.007
Giardia lamblia	Gamma tubulin	0.0131	0.5439	0.5414
Trichomonas vaginalis	tubulin gamma chain, putative	0.0131	0.5439	0.5428
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0096	0.007
Schistosoma mansoni	alpha tubulin	0.0187	0.7931	0.7931
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0057	0.2153	0.5
Loa Loa (eye worm)	tubulin beta chain	0.0057	0.2153	0.2153
Leishmania major	aldo-keto reductase-like protein	0.0031	0.0991	0.0968
Plasmodium vivax	tubulin beta chain, putative	0.0233	1	1
Leishmania major	alpha tubulin	0.0187	0.7931	0.7925
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0096	0.007
Onchocerca volvulus		0.0074	0.2918	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0991	0.0968
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0096	0.007
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0187	0.7931	0.7925
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.7931	0.7925
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0991	0.0991
Loa Loa (eye worm)	hypothetical protein	0.001	0.0086	0.0086
Mycobacterium leprae	cell division protein FtsZ	0.0057	0.2153	1
Leishmania major	epsilon tubulin, putative	0.0131	0.5439	0.5428
Schistosoma mansoni	tubulin subunit beta	0.0233	1	1
Giardia lamblia	Beta tubulin	0.0233	1	1
Trypanosoma brucei	beta tubulin	0.0233	1	1
Plasmodium falciparum	alpha tubulin 2	0.0187	0.7931	0.7925
Echinococcus multilocularis	tubulin beta 1 chain	0.0233	1	1
Leishmania major	beta tubulin	0.0233	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0187	0.7931	0.7925
Toxoplasma gondii	alpha tubulin TUBA1	0.0187	0.7931	0.7925
Trichomonas vaginalis	tubulin gamma chain, putative	0.0057	0.2153	0.2133
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0096	0.007
Schistosoma mansoni	tubulin subunit beta	0.0233	1	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.001	0.0096	0.007
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0991	0.0968
Trypanosoma cruzi	tubulin delta chain	0.0057	0.2153	0.2133
Plasmodium vivax	tubulin epsilon chain, putative	0.0131	0.5439	0.5428
Trypanosoma brucei	epsilon tubulin	0.0131	0.5439	0.5428
Schistosoma mansoni	potassium channel beta	0.0009	0.0026	0.0026
Echinococcus multilocularis	aldo keto reductase	0.0031	0.0991	0.0968
Plasmodium vivax	ABC transporter G family member 2, putative	0.001	0.0065	0.004
Loa Loa (eye worm)	hypothetical protein	0.001	0.0096	0.0096
Echinococcus multilocularis	tubulin alpha chain	0.0187	0.7931	0.7925
Brugia malayi	alpha-tubulin	0.0187	0.7931	0.7931
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0096	0.007
Echinococcus granulosus	tubulin gamma 1 chain	0.0131	0.5439	0.5428
Loa Loa (eye worm)	alpha-tubulin	0.0187	0.7931	0.7931
Loa Loa (eye worm)	oxidoreductase	0.0031	0.0991	0.0991
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Schistosoma mansoni	multidrug resistance protein	0.001	0.0096	0.0096
Onchocerca volvulus		0.0031	0.0991	0.3338
Loa Loa (eye worm)	tubulin alpha chain	0.0187	0.7931	0.7931
Loa Loa (eye worm)	hypothetical protein	0.0113	0.4645	0.4645
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0187	0.7931	0.7925
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.7931	0.7925
Leishmania major	beta tubulin	0.0233	1	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.001	0.0096	0.0096
Trypanosoma brucei	alpha tubulin	0.0187	0.7931	0.7925
Trichomonas vaginalis	tubulin gamma chain, putative	0.0233	1	1
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0991	0.0968
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0096	0.007
Brugia malayi	Tubulin beta chain	0.0074	0.2918	0.2918
Echinococcus granulosus	tubulin beta 1 chain	0.0233	1	1
Giardia lamblia	Alpha-tubulin	0.0187	0.7931	0.7919
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0057	0.2153	0.2133
Trichomonas vaginalis	ABC transporter, putative	0.001	0.0096	0.007
Echinococcus granulosus	tubulin alpha chain	0.0187	0.7931	0.7925
Echinococcus multilocularis	Tubulin beta 2C chain	0.0233	1	1
Loa Loa (eye worm)	tubulin gamma chain	0.0131	0.5439	0.5439
Trypanosoma brucei	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Loa Loa (eye worm)	BEN-1 protein	0.0233	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0187	0.7931	0.7925
Trypanosoma cruzi	zeta tubulin, putative	0.0057	0.2153	0.2133
Echinococcus granulosus	Tubulin beta 2C chain	0.0233	1	1
Onchocerca volvulus		0.0031	0.0991	0.3338
Plasmodium falciparum	tubulin epsilon chain, putative	0.0131	0.5439	0.5428
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0031	0.0991	0.0968
Echinococcus multilocularis	peroxisome assembly protein 26	0.0187	0.7931	0.7925
Echinococcus multilocularis	tubulin alpha 3 chain	0.0187	0.7931	0.7925
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0096	0.007
Giardia lamblia	Epsilon tubulin	0.0057	0.2153	0.211
Plasmodium vivax	tubulin alpha chain, putative	0.0187	0.7931	0.7925
Schistosoma mansoni	aldo-keto reductase	0.0031	0.0991	0.0991
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.001	0.0096	0.007
Plasmodium vivax	tubulin gamma chain, putative	0.0131	0.5439	0.5428
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0096	0.007
Echinococcus multilocularis	hypothetical protein	0.0187	0.7931	0.7925
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0991	0.0968
Leishmania major	beta tubulin	0.0233	1	1
Schistosoma mansoni	tubulin subunit delta	0.0057	0.2153	0.2153
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0057	0.2153	0.2133
Leishmania major	delta tubulin, putative	0.0057	0.2153	0.2133
Entamoeba histolytica	aldose reductase, putative	0.0031	0.0991	0.0968
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0096	0.007
Leishmania major	beta tubulin	0.0233	1	1
Trypanosoma brucei	alpha tubulin	0.0187	0.7931	0.7925
Leishmania major	beta tubulin	0.0233	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0187	0.7931	0.7931
Plasmodium vivax	delta tubulin, putative	0.0057	0.2153	0.2133
Leishmania major	alpha tubulin	0.0187	0.7931	0.7925
Trypanosoma cruzi	alpha tubulin, putative	0.0187	0.7931	0.7925
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0991	0.0968
Entamoeba histolytica	ABC transporter, putative	0.001	0.0065	0.004
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0991	0.0968
Schistosoma mansoni	tubulin subunit beta	0.0057	0.2153	0.2153
Trypanosoma brucei	beta tubulin	0.0233	1	1
Echinococcus granulosus	tubulin alpha chain	0.0187	0.7931	0.7925
Trichomonas vaginalis	tubulin gamma chain, putative	0.0131	0.5439	0.5428
Echinococcus multilocularis	beta tubulin	0.0233	1	1
Toxoplasma gondii	alpha-tubulin I, putative	0.0187	0.7931	0.7925
Schistosoma mansoni	alpha tubulin	0.0187	0.7931	0.7931
Giardia lamblia	Delta tubulin	0.0057	0.2153	0.211
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0991	0.0968
Loa Loa (eye worm)	tubulin beta-4 chain	0.0233	1	1
Trypanosoma cruzi	beta tubulin, putative	0.0233	1	1
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.001	0.0096	0.007
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0991	0.0968
Echinococcus multilocularis	tubulin subunit beta	0.0233	1	1
Leishmania major	alpha tubulin	0.0187	0.7931	0.7925
Leishmania major	beta tubulin	0.0233	1	1
Trypanosoma brucei	alpha tubulin	0.0187	0.7931	0.7925
Plasmodium falciparum	tubulin delta chain, putative	0.0057	0.2153	0.2133
Trypanosoma brucei	epsilon tubulin	0.0131	0.5439	0.5428
Schistosoma mansoni	tubulin subunit beta	0.0233	1	1
Echinococcus multilocularis	tubulin subunit TubB	0.0187	0.7931	0.7925
Trichomonas vaginalis	aldo/keto reductase, putative	0.0031	0.0991	0.0968
Onchocerca volvulus		0.001	0.0096	0.0242
Treponema pallidum	cell division protein FtsZ	0.0057	0.2153	0.5
Loa Loa (eye worm)	beta-tubulin	0.0233	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.7931	0.7925
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0991	0.0968
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0096	0.007
Leishmania major	beta tubulin	0.0233	1	1
Echinococcus granulosus	tubulin delta chain	0.0057	0.2153	0.2133
Echinococcus multilocularis	Tubulin beta 2C chain	0.0233	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0096	0.007
Trichomonas vaginalis	ABC transporter, putative	0.001	0.0096	0.007
Trypanosoma brucei	beta tubulin	0.0131	0.5439	0.5428
Loa Loa (eye worm)	tubulin alpha 2	0.0056	0.2123	0.2123
Loa Loa (eye worm)	tubulin alpha 2	0.013	0.5409	0.5409
Leishmania major	p-glycoprotein	0.001	0.0096	0.007
Trypanosoma brucei	tubulin gamma chain	0.0131	0.5439	0.5428
Schistosoma mansoni	tubulin subunit beta	0.0233	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0057	0.2153	0.2133
Entamoeba histolytica	tubulin family protein	0.0233	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0187	0.7931	0.7925
Echinococcus granulosus	tubulin alpha 1C chain	0.0187	0.7931	0.7925
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.001	0.0096	0.007
Toxoplasma gondii	aldose reductase, putative	0.0031	0.0991	0.0968
Giardia lamblia	Aldose reductase	0.0031	0.0991	0.0941
Leishmania major	ATP-binding cassette protein subfamily G, member 6, putative	0.001	0.0065	0.004
Trypanosoma brucei	prostaglandin f synthase	0.0031	0.0991	0.0968
Echinococcus multilocularis	tubulin alpha	0.0131	0.5439	0.5428
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0991	0.0968
Echinococcus granulosus	Tubulin beta 2C chain	0.0233	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.001	0.0096	0.007
Echinococcus granulosus	tubulin alpha 1C chain	0.0187	0.7931	0.7925
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.001	0.0096	0.007
Echinococcus multilocularis	tubulin epsilon chain	0.0131	0.5439	0.5428
Echinococcus granulosus	beta tubulin	0.0233	1	1
Trypanosoma brucei	beta tubulin	0.0233	1	1
Echinococcus granulosus	aldo keto reductase	0.0031	0.0991	0.0968
Trichomonas vaginalis	tubulin beta chain, putative	0.0187	0.7931	0.7925
Leishmania major	zeta tubulin, putative	0.0057	0.2153	0.2133
Trichomonas vaginalis	abcb9, putative	0.001	0.0096	0.007
Onchocerca volvulus		0.0031	0.0991	0.3338
Schistosoma mansoni	tubulin subunit alpha	0.0057	0.2153	0.2153
Brugia malayi	Tubulin gamma chain	0.0131	0.5439	0.5439
Trichomonas vaginalis	taga, putative	0.001	0.0096	0.007
Echinococcus granulosus	Tubulin beta 2C chain	0.0233	1	1
Trypanosoma cruzi	tubulin delta chain	0.0057	0.2153	0.2133
Trichomonas vaginalis	aldo-keto reductase, putative	0.0031	0.0991	0.0968
Trypanosoma brucei	beta tubulin	0.0233	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.001	0.0096	0.007
Echinococcus granulosus	tubulin alpha chain	0.0187	0.7931	0.7925
Schistosoma mansoni	tubulin subunit alpha	0.0187	0.7931	0.7931
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0031	0.0991	0.0968
Leishmania major	beta tubulin	0.0233	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0031	0.0991	0.0968
Trypanosoma brucei	ATP-binding cassette protein, putative	0.001	0.0065	0.004
Entamoeba histolytica	P-glycoprotein-2	0.001	0.0096	0.007
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0187	0.7931	0.7931
Trichomonas vaginalis	tubulin beta chain, putative	0.0233	1	1
Echinococcus multilocularis	aldehyde reductase	0.0022	0.0597	0.0573
Echinococcus granulosus	tubulin subunit TubB	0.0187	0.7931	0.7925
Entamoeba histolytica	P-glycoprotein-5	0.001	0.0096	0.007
Trichomonas vaginalis	conserved hypothetical protein	0.0057	0.2153	0.2133

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.6169 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	16.5113 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	32.6427 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1317268

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1234639