TDR Targets

Basic information

Technical information

TDR Targets ID: 346292
Name: (3E)-3-[(4-hydroxyphenyl)methylidene]-6-metho xy-1H-indol-2-one
MW: 267.279 | Formula: C16H13NO3
H donors: 2 H acceptors: 2 LogP: 2.51 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)NC(=O)/C/2=C/c1ccc(cc1)O
InChi: 1S/C16H13NO3/c1-20-12-6-7-13-14(16(19)17-15(13)9-12)8-10-2-4-11(18)5-3-10/h2-9,18H,1H3,(H,17,19)/b14-8+
InChiKey: PBLOJPUYFVSJDO-RIYZIHGNSA-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

(3E)-3-[(4-hydroxyphenyl)methylene]-6-methoxy-indolin-2-one
(3E)-3-[(4-hydroxyphenyl)methylene]-6-methoxy-2-indolinone
(3E)-3-(4-hydroxybenzylidene)-6-methoxy-oxindole

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Sus scrofa	Tubulin	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium vivax	tubulin gamma chain, putative	Tubulin	445 aa	438 aa	33.1 %
Neospora caninum	hypothetical protein	Tubulin	445 aa	430 aa	89.1 %
Leishmania infantum	epsilon tubulin, putative	Tubulin	445 aa	475 aa	30.1 %
Echinococcus granulosus	Tubulin beta 2C chain	Tubulin	445 aa	428 aa	92.3 %
Giardia lamblia	Alpha-tubulin	Tubulin	445 aa	434 aa	40.3 %
Leishmania major	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Echinococcus granulosus	alpha tubulin	Tubulin	445 aa	422 aa	29.9 %
Dictyostelium discoideum	gamma tubulin	Tubulin	445 aa	429 aa	33.8 %
Plasmodium knowlesi	alpha-tubulin II, putative	Tubulin	445 aa	434 aa	41.2 %
Echinococcus multilocularis	tubulin delta chain	Tubulin	445 aa	461 aa	26.0 %
Leishmania major	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Leishmania braziliensis	gamma-tubulin	Tubulin	445 aa	438 aa	34.2 %
Onchocerca volvulus	Putative cytochrome c-type heme lyase	Tubulin	445 aa	429 aa	87.9 %
Plasmodium vivax	tubulin epsilon chain, putative	Tubulin	445 aa	444 aa	28.2 %
Loa Loa (eye worm)	BEN-1 protein	Tubulin	445 aa	427 aa	82.4 %
Echinococcus multilocularis	tubulin alpha chain	Tubulin	445 aa	434 aa	40.1 %
Trypanosoma brucei	tubulin gamma chain	Tubulin	445 aa	436 aa	33.5 %
Leishmania braziliensis	alpha tubulin	Tubulin	445 aa	434 aa	40.3 %
Plasmodium yoelii	tubulin beta chain	Tubulin	445 aa	445 aa	29.7 %
Trichomonas vaginalis	tubulin epsilon chain, putative	Tubulin	445 aa	428 aa	80.8 %
Brugia malayi	beta-tubulin, identical	Tubulin	445 aa	430 aa	90.9 %
Echinococcus granulosus	tubulin gamma 1 chain	Tubulin	445 aa	436 aa	34.2 %
Trypanosoma brucei gambiense	gamma tubulin	Tubulin	445 aa	436 aa	33.5 %
Echinococcus multilocularis	hypothetical protein	Tubulin	445 aa	422 aa	29.9 %
Leishmania braziliensis	epsilon tubulin, putative	Tubulin	445 aa	465 aa	29.9 %
Dictyostelium discoideum	beta tubulin	Tubulin	445 aa	432 aa	76.2 %
Cryptosporidium hominis	alpha-tubulin	Tubulin	445 aa	438 aa	40.2 %
Onchocerca volvulus	Tyrosine kinase homolog	Tubulin	445 aa	434 aa	38.2 %
Trichomonas vaginalis	tubulin epsilon chain, putative	Tubulin	445 aa	434 aa	39.6 %
Neospora caninum	tubulin alpha chain, putative	Tubulin	445 aa	433 aa	30.9 %
Onchocerca volvulus	Regulatory-associated protein of mTOR homolog	Tubulin	445 aa	440 aa	38.6 %
Leishmania major	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Leishmania infantum	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Neospora caninum	tubulin alpha chain	Tubulin	445 aa	440 aa	40.5 %
Echinococcus multilocularis	Tubulin alpha 1 chain	Tubulin	445 aa	434 aa	40.8 %
Trichomonas vaginalis	tubulin alpha chain, putative	Tubulin	445 aa	428 aa	80.8 %
Brugia malayi	tubulin alpha-2 chain	Tubulin	445 aa	440 aa	38.4 %
Schistosoma mansoni	tubulin subunit alpha	Tubulin	445 aa	434 aa	38.9 %
Onchocerca volvulus		Tubulin	445 aa	433 aa	39.0 %
Schistosoma mansoni	tubulin subunit gamma	Tubulin	445 aa	436 aa	33.5 %
Loa Loa (eye worm)	BEN-1 protein	Tubulin	445 aa	427 aa	57.1 %
Echinococcus multilocularis	Tubulin beta 2C chain	Tubulin	445 aa	428 aa	92.5 %
Giardia lamblia	Beta tubulin	Tubulin	445 aa	428 aa	88.8 %
Echinococcus multilocularis	tubulin, beta 4A class IVa	Tubulin	445 aa	381 aa	71.4 %
Neospora caninum	hypothetical protein	Tubulin	445 aa	430 aa	89.8 %
Trypanosoma cruzi	alpha tubulin, putative	Tubulin	445 aa	434 aa	40.6 %
Echinococcus granulosus	Tubulin alpha 1 chain	Tubulin	445 aa	434 aa	38.9 %
Leishmania mexicana	gamma-tubulin	Tubulin	445 aa	438 aa	34.2 %
Plasmodium falciparum	tubulin epsilon chain, putative	Tubulin	445 aa	461 aa	27.8 %
Echinococcus granulosus	tubulin alpha 3 chain	Tubulin	445 aa	439 aa	40.3 %
Toxoplasma gondii	alpha tubulin TUBA1	Tubulin	445 aa	440 aa	40.5 %
Trichomonas vaginalis	tubulin beta chain, putative	Tubulin	445 aa	434 aa	39.6 %
Echinococcus granulosus	tubulin alpha chain	Tubulin	445 aa	434 aa	40.1 %
Leishmania major	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Echinococcus multilocularis	tubulin subunit TubB	Tubulin	445 aa	441 aa	30.6 %
Plasmodium knowlesi	alpha tubulin, putative	Tubulin	445 aa	434 aa	40.3 %
Leishmania infantum	gamma-tubulin	Tubulin	445 aa	438 aa	34.2 %
Echinococcus granulosus	peroxisome assembly protein 26	Tubulin	445 aa	438 aa	29.2 %
Leishmania major	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Brugia malayi	Tubulin alpha-2 chain	Tubulin	445 aa	435 aa	38.6 %
Schistosoma mansoni	tubulin subunit beta	Tubulin	445 aa	430 aa	95.8 %
Echinococcus multilocularis	tubulin alpha	Tubulin	445 aa	443 aa	30.5 %
Leishmania major	epsilon tubulin, putative	Tubulin	445 aa	465 aa	30.3 %
Trypanosoma brucei	alpha tubulin	Tubulin	445 aa	434 aa	40.8 %
Trypanosoma congolense	tubulin gamma chain	Tubulin	445 aa	436 aa	33.3 %
Schistosoma mansoni	tubulin subunit epsilon	Tubulin	445 aa	464 aa	31.5 %
Neospora caninum	hypothetical protein	Tubulin	445 aa	430 aa	89.1 %
Echinococcus granulosus	tubulin subunit TubB	Tubulin	445 aa	441 aa	30.6 %
Echinococcus multilocularis	peroxisome assembly protein 26	Tubulin	445 aa	438 aa	29.0 %
Echinococcus granulosus	Tubulin alpha 1 chain	Tubulin	445 aa	434 aa	40.3 %
Echinococcus granulosus	tubulin beta 4A class IVa	Tubulin	445 aa	381 aa	71.4 %
Onchocerca volvulus		Tubulin	445 aa	441 aa	31.5 %
Leishmania major	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Trichomonas vaginalis	tubulin alpha-1 chain, putative	Tubulin	445 aa	434 aa	39.6 %
Schistosoma japonicum	Tubulin alpha-1 chain, putative	Tubulin	445 aa	439 aa	39.4 %
Trypanosoma congolense	epsilon tubulin	Tubulin	445 aa	464 aa	29.3 %
Trypanosoma brucei gambiense	epsilon tubulin	Tubulin	445 aa	446 aa	29.4 %
Echinococcus granulosus	beta tubulin	Tubulin	445 aa	427 aa	82.7 %
Echinococcus granulosus	tubulin alpha chain	Tubulin	445 aa	432 aa	35.0 %
Entamoeba histolytica	tubulin alpha-1 chain	Tubulin	445 aa	439 aa	36.2 %
Onchocerca volvulus		Tubulin	445 aa	445 aa	36.2 %
Leishmania major	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Leishmania major	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Leishmania major	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Echinococcus multilocularis	tubulin alpha 3 chain	Tubulin	445 aa	439 aa	40.3 %
Plasmodium berghei	tubulin epsilon chain, putative	Tubulin	445 aa	445 aa	29.4 %
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	Tubulin	445 aa	433 aa	30.7 %
Toxoplasma gondii	alpha-tubulin I, putative	Tubulin	445 aa	442 aa	40.0 %
Plasmodium yoelii	tubulin gamma chain	Tubulin	445 aa	438 aa	32.9 %
Echinococcus granulosus	tubulin alpha 1C chain	Tubulin	445 aa	434 aa	39.6 %
Brugia malayi	alpha-tubulin	Tubulin	445 aa	434 aa	38.7 %
Trichomonas vaginalis	tubulin beta chain, putative	Tubulin	445 aa	428 aa	80.6 %
Leishmania donovani	tubulin gamma chain	Tubulin	445 aa	438 aa	34.2 %
Theileria parva	tubulin alpha chain, putative	Tubulin	445 aa	452 aa	36.7 %
Trypanosoma brucei	epsilon tubulin	Tubulin	445 aa	446 aa	29.6 %
Onchocerca volvulus		Tubulin	445 aa	427 aa	49.9 %
Plasmodium knowlesi	tubulin epsilon chain, putative	Tubulin	445 aa	441 aa	29.0 %
Giardia lamblia	Beta tubulin	Tubulin	445 aa	428 aa	88.8 %
Schistosoma japonicum	Tubulin beta chain, putative	Tubulin	445 aa	436 aa	96.6 %
Dictyostelium discoideum	hypothetical protein	Tubulin	445 aa	438 aa	38.6 %
Echinococcus multilocularis	Tubulin alpha 1 chain	Tubulin	445 aa	434 aa	40.3 %
Giardia lamblia	Beta tubulin	Tubulin	445 aa	428 aa	88.8 %
Entamoeba histolytica	tubulin family protein	Tubulin	445 aa	428 aa	56.3 %
Trypanosoma brucei	alpha tubulin	Tubulin	445 aa	434 aa	40.8 %
Dictyostelium discoideum	alpha tubulin	Tubulin	445 aa	446 aa	41.0 %
Trypanosoma cruzi	epsilon tubulin, putative	Tubulin	445 aa	456 aa	30.9 %
Theileria parva	Tubulin alpha chain, putative	Tubulin	445 aa	439 aa	39.6 %
Schistosoma japonicum	Tubulin alpha chain, putative	Tubulin	445 aa	457 aa	36.8 %
Echinococcus multilocularis	tubulin alpha chain	Tubulin	445 aa	438 aa	34.5 %
Schistosoma japonicum	ko:K07374 tubulin alpha, putative	Tubulin	445 aa	433 aa	39.3 %
Echinococcus granulosus	Tubulin beta 2C chain	Tubulin	445 aa	430 aa	95.1 %
Leishmania major	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Giardia lamblia	Alpha-tubulin	Tubulin	445 aa	434 aa	40.3 %
Echinococcus granulosus	tubulin alpha 1C chain	Tubulin	445 aa	434 aa	40.8 %
Echinococcus granulosus	tubulin alpha chain	Tubulin	445 aa	433 aa	33.5 %
Leishmania major	gamma-tubulin	Tubulin	445 aa	438 aa	34.0 %
Leishmania infantum	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Leishmania mexicana	beta tubulin	Tubulin	445 aa	429 aa	86.2 %
Schistosoma mansoni	tubulin subunit beta	Tubulin	445 aa	430 aa	92.6 %
Toxoplasma gondii	beta-1 tubulin, putative	Tubulin	445 aa	430 aa	89.1 %
Trichomonas vaginalis	tubulin gamma chain, putative	Tubulin	445 aa	415 aa	33.5 %
Trichomonas vaginalis	tubulin beta chain, putative	Tubulin	445 aa	434 aa	39.6 %
Plasmodium yoelii	tubulin alpha chain	Tubulin	445 aa	434 aa	40.3 %
Trypanosoma brucei gambiense	alpha tubulin	Tubulin	445 aa	434 aa	40.8 %
Leishmania major	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Plasmodium berghei	tubulin gamma chain, putative	Tubulin	445 aa	438 aa	33.1 %
Trypanosoma brucei	epsilon tubulin	Tubulin	445 aa	446 aa	29.4 %
Schistosoma japonicum	ko:K10389 tubulin gamma, putative	Tubulin	445 aa	436 aa	33.9 %
Toxoplasma gondii	beta tubulin	Tubulin	445 aa	430 aa	89.1 %
Cryptosporidium parvum	alpha tubulin	Tubulin	445 aa	438 aa	40.2 %
Trypanosoma brucei	epsilon tubulin	Tubulin	445 aa	446 aa	29.6 %
Cryptosporidium parvum	gamma tubulin	Tubulin	445 aa	436 aa	37.4 %
Echinococcus multilocularis	tubulin gamma 1 chain	Tubulin	445 aa	436 aa	34.2 %
Brugia malayi	tubulin alpha chain - mouse	Tubulin	445 aa	433 aa	40.0 %
Echinococcus multilocularis	tubulin alpha 1C chain	Tubulin	445 aa	434 aa	39.9 %
Babesia bovis	tubulin alpha chain, putative	Tubulin	445 aa	433 aa	40.6 %
Giardia lamblia	Gamma tubulin	Tubulin	445 aa	460 aa	32.2 %
Onchocerca volvulus		Tubulin	445 aa	427 aa	82.7 %
Brugia malayi	Tubulin beta-1 chain	Tubulin	445 aa	429 aa	87.9 %
Onchocerca volvulus	Putative methyltransferase KIAA1456	Tubulin	445 aa	426 aa	49.8 %
Onchocerca volvulus		Tubulin	445 aa	433 aa	40.0 %
Plasmodium vivax	tubulin alpha chain, putative	Tubulin	445 aa	434 aa	40.3 %
Leishmania mexicana	epsilon tubulin, putative	Tubulin	445 aa	469 aa	30.5 %
Leishmania mexicana	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Loa Loa (eye worm)	tubulin beta-2A chain	Tubulin	445 aa	430 aa	91.9 %
Loa Loa (eye worm)	tubulin beta-1 chain	Tubulin	445 aa	432 aa	88.4 %
Loa Loa (eye worm)	tubulin alpha-2 chain	Tubulin	445 aa	440 aa	39.1 %
Plasmodium berghei	alpha tubulin 1	Tubulin	445 aa	434 aa	40.3 %
Schistosoma mansoni	alpha tubulin	Tubulin	445 aa	434 aa	39.4 %
Toxoplasma gondii	beta-tubulin, putative	Tubulin	445 aa	430 aa	89.8 %
Babesia bovis	tubulin, putative	Tubulin	445 aa	457 aa	21.4 %
Entamoeba histolytica	tubulin alpha chain, putative	Tubulin	445 aa	439 aa	35.8 %
Trypanosoma cruzi	tubulin gamma chain	Tubulin	445 aa	436 aa	33.5 %
Drosophila melanogaster	beta-Tubulin at 60D	Tubulin	445 aa	435 aa	91.3 %
Trypanosoma brucei	alpha tubulin	Tubulin	445 aa	434 aa	40.8 %
Echinococcus multilocularis	Tubulin beta 2C chain	Tubulin	445 aa	430 aa	94.4 %
Onchocerca volvulus		Tubulin	445 aa	434 aa	39.9 %
Schistosoma japonicum	Tubulin alpha-1C chain, putative	Tubulin	445 aa	438 aa	38.8 %
Echinococcus granulosus	Tubulin alpha 1 chain	Tubulin	445 aa	434 aa	40.8 %
Loa Loa (eye worm)	tubulin alpha chain	Tubulin	445 aa	432 aa	39.8 %
Leishmania major	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Plasmodium falciparum	alpha tubulin 1	Tubulin	445 aa	434 aa	40.8 %
Trichomonas vaginalis	tubulin beta chain, putative	Tubulin	445 aa	434 aa	39.6 %
Trypanosoma brucei	alpha tubulin	Tubulin	445 aa	434 aa	40.8 %
Echinococcus multilocularis	tubulin alpha 1C chain	Tubulin	445 aa	434 aa	40.6 %
Trypanosoma cruzi	epsilon tubulin, putative	Tubulin	445 aa	456 aa	30.9 %
Drosophila melanogaster	gamma-Tubulin at 23C	Tubulin	445 aa	439 aa	34.4 %
Leishmania donovani	epsilon tubulin, putative	Tubulin	445 aa	475 aa	30.1 %
Trichomonas vaginalis	tubulin beta chain, putative	Tubulin	445 aa	434 aa	39.6 %
Onchocerca volvulus	60S ribosomal protein L13 homolog	Tubulin	445 aa	430 aa	91.9 %
Plasmodium falciparum	tubulin gamma chain	Tubulin	445 aa	438 aa	32.6 %
Plasmodium knowlesi	tubulin gamma chain, putative	Tubulin	445 aa	438 aa	33.1 %
Onchocerca volvulus		Tubulin	445 aa	435 aa	39.8 %
Trichomonas vaginalis	tubulin, putative	Tubulin	445 aa	428 aa	80.8 %
Plasmodium falciparum	alpha tubulin 2	Tubulin	445 aa	434 aa	41.2 %
Schistosoma mansoni	alpha tubulin	Tubulin	445 aa	436 aa	39.7 %
Entamoeba histolytica	tubulin gamma chain	Tubulin	445 aa	428 aa	32.9 %
Leishmania donovani	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Schistosoma mansoni	tubulin subunit alpha	Tubulin	445 aa	439 aa	39.4 %
Theileria parva	tubulin gamma chain, putative	Tubulin	445 aa	420 aa	34.3 %
Loa Loa (eye worm)	alpha-tubulin	Tubulin	445 aa	440 aa	38.2 %
Echinococcus granulosus	tubulin alpha	Tubulin	445 aa	440 aa	30.2 %
Schistosoma japonicum	ko:K07374 tubulin alpha, putative	Tubulin	445 aa	433 aa	40.0 %
Cryptosporidium hominis	gamma-tubulin	Tubulin	445 aa	436 aa	37.4 %
Neospora caninum	Beta-tubulin, related	Tubulin	445 aa	446 aa	35.0 %
Leishmania braziliensis	alpha tubulin	Tubulin	445 aa	434 aa	40.3 %
Echinococcus granulosus	tubulin alpha 3 chain	Tubulin	445 aa	434 aa	40.1 %
Echinococcus multilocularis	tubulin alpha chain	Tubulin	445 aa	433 aa	33.5 %
Onchocerca volvulus	1D304 homolog	Tubulin	445 aa	433 aa	40.4 %
Echinococcus multilocularis	tubulin alpha 3 chain	Tubulin	445 aa	434 aa	40.1 %
Giardia lamblia	Epsilon tubulin	Tubulin	445 aa	442 aa	27.6 %
Plasmodium vivax	tubulin alpha chain, putative	Tubulin	445 aa	434 aa	41.2 %
Plasmodium berghei	alpha tubulin 2	Tubulin	445 aa	434 aa	41.2 %
Brugia malayi	Tubulin gamma chain	Tubulin	445 aa	440 aa	31.4 %
Trypanosoma congolense	alpha tubulin	Tubulin	445 aa	434 aa	40.8 %
Echinococcus multilocularis	Tubulin alpha 1 chain	Tubulin	445 aa	434 aa	38.9 %
Babesia bovis	tubulin gamma chain	Tubulin	445 aa	441 aa	34.2 %
Leishmania mexicana	alpha tubulin	Tubulin	445 aa	434 aa	40.6 %
Trichomonas vaginalis	tubulin beta chain, putative	Tubulin	445 aa	434 aa	39.6 %
Entamoeba histolytica	tubulin family protein	Tubulin	445 aa	429 aa	57.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1441	0.1441
Echinococcus multilocularis	acetylcholinesterase	0.0599	1	1
Loa Loa (eye worm)	choline O-acetyltransferase	0.0162	0.2484	0.2484
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.0117	1
Schistosoma mansoni	choline o-acyltransferase	0.0024	0.0117	0.0117
Onchocerca volvulus		0.0101	0.1441	1
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0024	0.0117	0.0117
Loa Loa (eye worm)	acetylcholinesterase 1	0.0599	1	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1441	0.1441
Onchocerca volvulus		0.0101	0.1441	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0101	0.1441	0.1441
Loa Loa (eye worm)	carboxylesterase	0.0101	0.1441	0.1441
Brugia malayi	Carboxylesterase family protein	0.0101	0.1441	0.1441
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0024	0.0117	1
Loa Loa (eye worm)	carboxylesterase	0.0599	1	1
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1441	0.1441
Toxoplasma gondii	alpha-tubulin I, putative	0.0017	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0599	1	1
Schistosoma mansoni	acetylcholinesterase	0.0101	0.1441	0.1441
Brugia malayi	Choline O-acetyltransferase	0.0162	0.2484	0.2484
Echinococcus granulosus	carnitine O palmitoyltransferase 2	0.0024	0.0117	0.0117
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0024	0.0117	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0101	0.1441	0.1441
Giardia lamblia	Alpha-tubulin	0.0017	0	0.5
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0024	0.0117	1
Entamoeba histolytica	tubulin family protein	0.0017	0	0.5
Toxoplasma gondii	beta tubulin	0.0017	0	0.5
Onchocerca volvulus		0.0101	0.1441	1
Brugia malayi	Choline O-acetyltransferase	0.0162	0.2484	0.2484
Plasmodium falciparum	alpha tubulin 1	0.0017	0	0.5
Brugia malayi	Carboxylesterase family protein	0.0101	0.1441	0.1441
Mycobacterium ulcerans	carboxylesterase, LipT	0.0101	0.1441	0.5
Trypanosoma cruzi	carnitine/choline acetyltransferase, putative	0.0024	0.0117	1
Leishmania major	carnitine/choline acetyltransferase, putative	0.0024	0.0117	1
Loa Loa (eye worm)	carnitine O-palmitoyltransferase I isoform	0.0024	0.0117	0.0117
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0101	0.1441	0.5
Giardia lamblia	Alpha-tubulin	0.0017	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1441	0.1441
Echinococcus multilocularis	neuroligin	0.0101	0.1441	0.1441
Echinococcus granulosus	carboxylesterase 5A	0.0599	1	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0101	0.1441	1
Echinococcus multilocularis	choline O acetyltransferase	0.0162	0.2484	0.2484
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0101	0.1441	0.1441
Loa Loa (eye worm)	hypothetical protein	0.0599	1	1
Plasmodium falciparum	tubulin gamma chain	0.0017	0	0.5
Leishmania major	carnitine palmitoyltransferase-like protein	0.0024	0.0117	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0101	0.1441	0.1441
Echinococcus granulosus	neuroligin	0.0101	0.1441	0.1441
Echinococcus multilocularis	carnitine O palmitoyltransferase 1, liver	0.0024	0.0117	0.0117
Brugia malayi	hypothetical protein	0.0101	0.1441	0.1441
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1441	0.1441
Trypanosoma cruzi	choline/carnitine O-acetyltransferase, putative	0.0024	0.0117	1
Plasmodium vivax	tubulin alpha chain, putative	0.0017	0	0.5
Entamoeba histolytica	tubulin alpha chain, putative	0.0017	0	0.5
Trypanosoma cruzi	carnitine O-palmitoyltransferase II, putative	0.0024	0.0117	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0599	1	1
Echinococcus granulosus	acetylcholinesterase	0.0599	1	1
Trypanosoma cruzi	carnitine O-acetyltransferase, putative	0.0024	0.0117	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.0117	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.0117	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0101	0.1441	0.1441
Toxoplasma gondii	beta-1 tubulin, putative	0.0017	0	0.5
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0101	0.1441	0.1441
Echinococcus granulosus	choline O acetyltransferase	0.0162	0.2484	0.2484
Loa Loa (eye worm)	hypothetical protein	0.0162	0.2484	0.2484
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0017	0	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0101	0.1441	0.5
Echinococcus granulosus	acetylcholinesterase	0.0599	1	1
Brugia malayi	Carboxylesterase family protein	0.0599	1	1
Echinococcus granulosus	carnitine O palmitoyltransferase 1 liver	0.0024	0.0117	0.0117
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0101	0.1441	1
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0024	0.0117	1
Trypanosoma cruzi	choline/carnitine O-acyltransferase, putative	0.0024	0.0117	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0017	0	0.5
Trypanosoma brucei	carnitine O-palmitoyltransferase II, putative	0.0024	0.0117	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.0117	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0024	0.0117	1
Onchocerca volvulus		0.0101	0.1441	1
Plasmodium vivax	tubulin epsilon chain, putative	0.0017	0	0.5
Plasmodium falciparum	alpha tubulin 2	0.0017	0	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0101	0.1441	0.1441
Trypanosoma brucei	carnitine O-acetyltransferase, putative	0.0024	0.0117	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0101	0.1441	0.5
Echinococcus multilocularis	carnitine O palmitoyltransferase 2	0.0024	0.0117	0.0117
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0024	0.0117	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0117	0.0117
Plasmodium vivax	tubulin alpha chain, putative	0.0017	0	0.5
Echinococcus multilocularis	acetylcholinesterase	0.0599	1	1
Entamoeba histolytica	tubulin family protein	0.0017	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1441	0.1441
Brugia malayi	Carboxylesterase family protein	0.0101	0.1441	0.1441
Giardia lamblia	Beta tubulin	0.0017	0	0.5
Giardia lamblia	Gamma tubulin	0.0017	0	0.5
Loa Loa (eye worm)	choline/Carnitine O-acyltransferase	0.0024	0.0117	0.0117
Leishmania major	choline/Carnitine o-acyltransferase-like protein	0.0024	0.0117	1
Toxoplasma gondii	beta-tubulin, putative	0.0017	0	0.5
Entamoeba histolytica	tubulin gamma chain	0.0017	0	0.5
Echinococcus multilocularis	para nitrobenzyl esterase	0.0101	0.1441	0.1441
Loa Loa (eye worm)	carboxylesterase	0.0101	0.1441	0.1441
Plasmodium falciparum	tubulin epsilon chain, putative	0.0017	0	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0101	0.1441	0.1441
Trypanosoma brucei	hypothetical protein, conserved	0.0024	0.0117	1
Echinococcus multilocularis	carboxylesterase 5A	0.0599	1	1
Giardia lamblia	Beta tubulin	0.0017	0	0.5
Brugia malayi	Choline/Carnitine o-acyltransferase family protein	0.0024	0.0117	0.0117
Plasmodium vivax	tubulin gamma chain, putative	0.0017	0	0.5
Brugia malayi	Carboxylesterase family protein	0.0101	0.1441	0.1441
Schistosoma mansoni	choline o-acyltransferase	0.0162	0.2484	0.2484
Loa Loa (eye worm)	hypothetical protein	0.0101	0.1441	0.1441
Echinococcus granulosus	BC026374 protein S09 family	0.0101	0.1441	0.1441
Toxoplasma gondii	alpha tubulin TUBA1	0.0017	0	0.5
Onchocerca volvulus		0.0101	0.1441	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0101	0.1441	0.1441
Trypanosoma brucei	carnitine O-palmitoyltransferase, putative	0.0024	0.0117	1
Plasmodium falciparum	tubulin beta chain	0.0017	0	0.5
Plasmodium vivax	tubulin beta chain, putative	0.0017	0	0.5
Giardia lamblia	Beta tubulin	0.0017	0	0.5
Schistosoma mansoni	gliotactin	0.0101	0.1441	0.1441

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.23 uM	Antiproliferative activity against estrogen-dependent breast cancer MCF7 cell line by MTS assay	ChEMBL.	16213720
IC50 (functional)	= 0.23 uM	Antiproliferative activity against estrogen-dependent breast cancer MCF7 cell line by MTS assay	ChEMBL.	16213720
IC50 (functional)	= 0.64 uM	Antiproliferative activity against androgen-independent prostate cancer PC3 cell line by MTS assay	ChEMBL.	16213720
IC50 (functional)	= 0.64 uM	Antiproliferative activity against androgen-independent prostate cancer PC3 cell line by MTS assay	ChEMBL.	16213720
IC50 (functional)	= 2.6 uM	Antiproliferative activity against estrogen-independent breast cancer MDA-MB-231 cell line by MTS assay	ChEMBL.	16213720
IC50 (functional)	= 2.6 uM	Antiproliferative activity against estrogen-independent breast cancer MDA-MB-231 cell line by MTS assay	ChEMBL.	16213720
IC50 (binding)	= 18 uM	Inhibition of porcine brain tubulin polymerization by GTP-induced assembly	ChEMBL.	16213720
IC50 (binding)	= 18 uM	Inhibition of porcine brain tubulin polymerization by GTP-induced assembly	ChEMBL.	16213720

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	16213720

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.

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External resources for this compound

PubChem: 11989652

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 346292