TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 358.345 | Formula: C18H18N2O6
H donors: 1 H acceptors: 2 LogP: 2.07 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)[nH]c(=O)n2C(=O)c1cc(OC)c(c(c1)OC)OC
InChi: 1S/C18H18N2O6/c1-23-11-5-6-13-12(9-11)19-18(22)20(13)17(21)10-7-14(24-2)16(26-4)15(8-10)25-3/h5-9H,1-4H3,(H,19,22)
InChiKey: CLAJXEICSSUZAF-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.1943	0.9828	0.9828
Plasmodium vivax	phosphoglycerate mutase, putative	0.0033	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0	0.5
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1943	0.9828	0.9828
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0033	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0	0.5
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0843	0.4169	0.4169
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.0843	0.4169	0.4169
Mycobacterium tuberculosis	Conserved protein	0.0033	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.1977	1	1
Mycobacterium tuberculosis	Conserved protein	0.0033	0	0.5
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1977	1	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.1167	0.5831	1
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0033	0	0.5
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.1167	0.5831	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0033	0	0.5
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0033	0	0.5
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.1977	1	1
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0033	0	0.5
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0033	0	0.5
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0033	0	0.5
Giardia lamblia	Hypothetical protein	0.1167	0.5831	0.5
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0033	0	0.5
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0033	0	0.5
Plasmodium falciparum	phosphoglucomutase-2	0.0033	0	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0033	0	0.5
Brugia malayi	phosphoglycerate mutase family protein	0.0033	0	0.5
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1977	1	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0843	0.4169	0.4169
Loa Loa (eye worm)	hypothetical protein	0.1133	0.566	0.566
Brugia malayi	UBASH3A protein homolog	0.0033	0	0.5
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0033	0	0.5
Toxoplasma gondii	phosphoglycerate mutase	0.0033	0	0.5
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0033	0	0.5
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0033	0	0.5
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0033	0	0.5
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.0843	0.4169	0.4169
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0033	0	0.5
Schistosoma mansoni	6-phosphofructokinase	0.1977	1	1
Onchocerca volvulus		0.1977	1	1
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0033	0	0.5
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1977	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0033	0	0.5
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0033	0	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0033	0	0.5
Plasmodium vivax	phosphoglucomutase-2, putative	0.0033	0	0.5
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.1943	0.9828	0.9828
Brugia malayi	phosphoglycerate mutase family protein	0.0033	0	0.5
Mycobacterium ulcerans	hypothetical protein	0.1167	0.5831	1
Treponema pallidum	phosphoglyceromutase	0.0033	0	0.5
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0033	0	0.5
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0033	0	0.5
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0033	0	0.5
Giardia lamblia	Hypothetical protein	0.1167	0.5831	0.5
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1977	1	1
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0033	0	0.5
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0033	0	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0033	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.1943	0.9828	0.9828
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.1943	0.9828	0.9828
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0033	0	0.5
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0033	0	0.5
Mycobacterium leprae	probable isochorismate synthase EntC	0.0033	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 108.5 nM	Cytotoxicity against hormone-independent human MDA-MB-231 cells assessed as growth inhibition by MTS assay	ChEMBL.	23790539
IC50 (binding)	= 19.14 uM	Inhibition of porcine brain tubulin polymerization	ChEMBL.	23790539

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	23790539

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: CHEMBL2402028

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1779116