TDR Targets

Basic information

Technical information

TDR Targets ID: 446797
Name: benzo[f][1]benzothiol-4-yl 3-methylbenzenesul fonate
MW: 354.443 | Formula: C19H14O3S2
H donors: 0 H acceptors: 2 LogP: 5.65 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)S(=O)(=O)Oc1c2ccsc2cc2c1cccc2
InChi: 1S/C19H14O3S2/c1-13-5-4-7-15(11-13)24(20,21)22-19-16-8-3-2-6-14(16)12-18-17(19)9-10-23-18/h2-12H,1H3
InChiKey: AMHNRRHEMJUIHM-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

benzo[f]benzothiophen-4-yl 3-methylbenzenesulfonate
3-methylbenzenesulfonic acid 4-benzo[f]benzothiophenyl ester
3-methylbenzenesulfonic acid benzo[f]benzothiophen-4-yl ester

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0468	0.1263	0.1263
Loa Loa (eye worm)	carboxylesterase	0.0468	0.1263	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0468	0.1263	0.1263
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0468	0.1263	0.1263
Loa Loa (eye worm)	acetylcholinesterase 1	0.2769	1	1
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0468	0.1263	0.5
Loa Loa (eye worm)	hypothetical protein	0.0468	0.1263	0.1263
Loa Loa (eye worm)	hypothetical protein	0.2769	1	1
Loa Loa (eye worm)	carboxylesterase	0.0468	0.1263	0.1263
Echinococcus granulosus	acetylcholinesterase	0.2769	1	1
Echinococcus granulosus	neuroligin	0.0468	0.1263	0.1263
Loa Loa (eye worm)	carboxylesterase	0.2769	1	1
Brugia malayi	Carboxylesterase family protein	0.0468	0.1263	0.1263
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0468	0.1263	0.1263
Echinococcus multilocularis	carboxylesterase 5A	0.2769	1	1
Onchocerca volvulus		0.0468	0.1263	1
Echinococcus granulosus	carboxylesterase 5A	0.2769	1	1
Onchocerca volvulus		0.0468	0.1263	1
Echinococcus multilocularis	neuroligin	0.0468	0.1263	0.1263
Echinococcus multilocularis	acetylcholinesterase	0.2769	1	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0468	0.1263	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0468	0.1263	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0468	0.1263	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0468	0.1263	0.1263
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0468	0.1263	0.5
Loa Loa (eye worm)	hypothetical protein	0.0468	0.1263	0.1263
Echinococcus multilocularis	acetylcholinesterase	0.2769	1	1
Echinococcus granulosus	acetylcholinesterase	0.2769	1	1
Brugia malayi	Carboxylesterase family protein	0.0468	0.1263	0.1263
Brugia malayi	Carboxylesterase family protein	0.2769	1	1
Brugia malayi	Carboxylesterase family protein	0.0468	0.1263	0.1263
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0468	0.1263	0.1263
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0468	0.1263	0.5
Echinococcus granulosus	BC026374 protein S09 family	0.0468	0.1263	0.1263
Onchocerca volvulus		0.0468	0.1263	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0468	0.1263	0.1263
Echinococcus granulosus	para nitrobenzyl esterase	0.0468	0.1263	0.1263
Schistosoma mansoni	acetylcholinesterase	0.0468	0.1263	0.1263
Echinococcus multilocularis	para nitrobenzyl esterase	0.0468	0.1263	0.1263
Trichomonas vaginalis	spcc417.12 protein, putative	0.0468	0.1263	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0468	0.1263	0.5
Mycobacterium ulcerans	carboxylesterase, LipT	0.0468	0.1263	0.5
Onchocerca volvulus		0.0468	0.1263	1
Onchocerca volvulus		0.0468	0.1263	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2769	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0468	0.1263	0.1263
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0468	0.1263	0.1263
Loa Loa (eye worm)	hypothetical protein	0.2769	1	1
Brugia malayi	hypothetical protein	0.0468	0.1263	0.1263
Loa Loa (eye worm)	hypothetical protein	0.0468	0.1263	0.1263
Brugia malayi	Carboxylesterase family protein	0.0468	0.1263	0.1263
Schistosoma mansoni	gliotactin	0.0468	0.1263	0.1263

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.53 uM	Antiproliferative activity against human K562 cells after 48 hrs	ChEMBL.	17973361
IC50 (functional)	= 0.53 uM	Antiproliferative activity against human K562 cells after 48 hrs	ChEMBL.	17973361
IC50 (binding)	= 0.74 uM	Inhibition of porcine brain tubulin polymerization	ChEMBL.	17973361
IC50 (binding)	= 0.74 uM	Inhibition of porcine brain tubulin polymerization	ChEMBL.	17973361

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	17973361

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

PubChem: 23729784

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 446797