TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 713.927 | Formula: C37H55N5O7S
H donors: 4 H acceptors: 7 LogP: 3.58 Rotable bonds: 22
Rule of 5 violations (Lipinski): 2
SMILES: CC[C@@H]([C@@H](C(=O)N[C@H](C(C)C)C[C@H](c1scc(n1)C(=O)N[C@H](C[C@@H](C(=O)O)C)Cc1ccccc1)OC(=O)C)NC(=O)[C@H]1CCCCN1C)C
InChi: 1S/C37H55N5O7S/c1-8-23(4)32(41-34(45)30-16-12-13-17-42(30)7)35(46)39-28(22(2)3)20-31(49-25(6)43)36-40-29(21-50-36)33(44)38-27(18-24(5)37(47)48)19-26-14-10-9-11-15-26/h9-11,14-15,21-24,27-28,30-32H,8,12-13,16-20H2,1-7H3,(H,38,44)(H,39,46)(H,41,45)(H,47,48)/t23-,24-,27+,28-,30+,31+,32-/m0/s1
InChiKey: RXKZEOMBVZELEA-OZMYYLJDSA-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

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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Treponema pallidum	pyruvate oxidoreductase	0.0063	0	0.5
Echinococcus granulosus	neuropeptide receptor	0.014	0.2069	0.5
Mycobacterium tuberculosis	Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS)	0.0435	1	1
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0063	0	0.5
Mycobacterium leprae	Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS)	0.0435	1	1
Trypanosoma brucei	phosphonopyruvate decarboxylase-like protein, putative	0.014	0.208	0.5
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0063	0	0.5
Mycobacterium ulcerans	putative oxalyl-CoA decarboxylase	0.0435	1	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0249	0.4994	0.5
Leishmania major	putative pyruvate/indole-pyruvate carboxylase, putative	0.0249	0.4994	1
Mycobacterium ulcerans	pyruvate or indole-3-pyruvate decarboxylase Pdc	0.0249	0.4994	0.4994
Mycobacterium ulcerans	2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase	0.0077	0.0378	0.0378
Mycobacterium ulcerans	acetolactate synthase	0.0249	0.4994	0.4994
Entamoeba histolytica	pyruvate:ferredoxin oxidoreductase	0.0063	0	0.5
Mycobacterium leprae	PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE)	0.0435	1	1
Mycobacterium ulcerans	hypothetical protein	0.014	0.208	0.208
Mycobacterium ulcerans	hypothetical protein	0.0435	1	1
Mycobacterium ulcerans	acetolactate synthase large subunit IlvB	0.0249	0.4994	0.4994
Echinococcus multilocularis	neuropeptide receptor	0.014	0.2069	0.5
Trypanosoma cruzi	phosphonopyruvate decarboxylase, putative	0.014	0.208	0.5
Mycobacterium tuberculosis	Probable oxalyl-CoA decarboxylase OxcA	0.0435	1	1
Schistosoma mansoni	acetolactate synthase	0.0371	0.8298	1
Plasmodium falciparum	acyl-CoA synthetase	0.0249	0.4994	0.5
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0063	0	0.5
Trypanosoma brucei	phosphonopyruvate decarboxylase-like protein, putative	0.014	0.208	0.5
Mycobacterium tuberculosis	Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase)	0.0186	0.3304	0.3304
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0063	0	0.5
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0063	0	0.5
Trypanosoma cruzi	phosphonopyruvate decarboxylase, putative	0.014	0.208	0.5
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0063	0	0.5
Mycobacterium ulcerans	acetolactate synthase 1 catalytic subunit	0.0435	1	1
Schistosoma mansoni	acetolactate synthase	0.0371	0.8298	1
Giardia lamblia	Pyruvate-flavodoxin oxidoreductase	0.0063	0	0.5
Echinococcus multilocularis	G protein coupled receptor 139	0.014	0.2069	0.5
Loa Loa (eye worm)	ILVBL protein	0.0263	0.5384	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 98 nM	Cytotoxicity against human HL60 cells after 72 hrs by MTT assay	ChEMBL.	21106374
IC50 (functional)	= 240 nM	Cytotoxicity against human MCF7 cells after 72 hrs by MTT assay	ChEMBL.	21106374
IC50 (functional)	= 920 nM	Cytotoxicity against human HCT116 cells after 72 hrs by MTT assay	ChEMBL.	21106374
IC50 (functional)	= 1200 nM	Cytotoxicity against human A549 cells after 72 hrs by MTT assay	ChEMBL.	21106374
IC50 (binding)	= 1.7 uM	Inhibition of porcine brain tubulin polymerization by microtubule assembly assay	ChEMBL.	21106374

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	21106374

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: CHEMBL1643766

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1494103