TDR Targets

Basic information

Technical information

TDR Targets ID: 206062
Name: N-[4-carbamimidoyl-2-[[(3S)-3-[(7-methoxynaph thalen-2-yl)sulfonyl-methylamino]-2-oxopyrrol idin-1-yl]methyl]phenyl]acetamide
MW: 523.604 | Formula: C26H29N5O5S
H donors: 2 H acceptors: 4 LogP: 1.62 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc2c(c1)cc(cc2)S(=O)(=O)N([C@H]1CCN(C1=O)Cc1cc(ccc1NC(=O)C)C(=N)N)C
InChi: 1S/C26H29N5O5S/c1-16(32)29-23-9-6-18(25(27)28)12-20(23)15-31-11-10-24(26(31)33)30(2)37(34,35)22-8-5-17-4-7-21(36-3)13-19(17)14-22/h4-9,12-14,24H,10-11,15H2,1-3H3,(H3,27,28)(H,29,32)/t24-/m0/s1
InChiKey: XGLNNPQGQSORDQ-DEOSSOPVSA-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

N-[4-carbamimidoyl-2-[[(3S)-3-[(7-methoxy-2-naphthyl)sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]phenyl]acetamide
N-[4-carbamimidoyl-2-[[(3S)-3-[(7-methoxy-2-naphthyl)sulfonyl-methylamino]-2-oxo-1-pyrrolidinyl]methyl]phenyl]acetamide
N-[4-carbamimidoyl-2-[[(3S)-3-[(7-methoxynaphthalen-2-yl)sulfonyl-methyl-amino]-2-oxo-pyrrolidin-1-yl]methyl]phenyl]ethanamide
N-[4-amidino-2-[[(3S)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonyl-methyl-amino]pyrrolidino]methyl]phenyl]acetamide
N-[4-amidino-2-[[(3S)-2-keto-3-[(7-methoxy-2-naphthyl)sulfonyl-methyl-amino]pyrrolidin-1-yl]methyl]phenyl]acetamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	coagulation factor II (thrombin)	Starlite/ChEMBL	References
Bos taurus	Trypsin II	Starlite/ChEMBL	References
Homo sapiens	coagulation factor X	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_126639	All targets in OG5_126639
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639
Onchocerca volvulus		Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Get druggable targets OG5_126639	All targets in OG5_126639
Schistosoma japonicum	ko:K09639 transmembrane protease, serine 8, putative	Get druggable targets OG5_126639	All targets in OG5_126639
Brugia malayi	Trypsin family protein	Get druggable targets OG5_126639	All targets in OG5_126639
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126639	All targets in OG5_126639

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus multilocularis	glycoprotein Antigen 5	Trypsin II	247 aa	302 aa	23.2 %
Drosophila melanogaster	CG34436 gene product from transcript CG34436-RA	Trypsin II	247 aa	213 aa	24.9 %
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	Trypsin II	247 aa	287 aa	27.2 %
Drosophila melanogaster	CG31326 gene product from transcript CG31326-RA	Trypsin II	247 aa	249 aa	23.7 %
Drosophila melanogaster	CG33458 gene product from transcript CG33458-RA	Trypsin II	247 aa	255 aa	29.4 %
Schistosoma japonicum	ko:K01346 pancreatic elastase II [EC3.4.21.71], putative	Trypsin II	247 aa	303 aa	24.8 %
Drosophila melanogaster	CG3916 gene product from transcript CG3916-RA	Trypsin II	247 aa	257 aa	33.5 %
Drosophila melanogaster	CG9733 gene product from transcript CG9733-RB	Trypsin II	247 aa	262 aa	31.3 %
Drosophila melanogaster	CG11313 gene product from transcript CG11313-RC	Trypsin II	247 aa	223 aa	33.2 %
Echinococcus granulosus	glycoprotein Antigen 5	Trypsin II	247 aa	301 aa	22.3 %
Drosophila melanogaster	CG18180 gene product from transcript CG18180-RA	Trypsin II	247 aa	234 aa	31.2 %
Onchocerca volvulus		Trypsin II	247 aa	257 aa	26.5 %
Schistosoma mansoni	cercarial elastase (S01 family)	Trypsin II	247 aa	217 aa	23.0 %
Echinococcus granulosus	enteropeptidase	Trypsin II	247 aa	227 aa	26.4 %
Drosophila melanogaster	CG13744 gene product from transcript CG13744-RA	Trypsin II	247 aa	250 aa	31.6 %
Drosophila melanogaster	CG4914 gene product from transcript CG4914-RA	Trypsin II	247 aa	244 aa	37.3 %
Schistosoma japonicum	ko:K09637 transmembrane protease, serine 6, putative	Trypsin II	247 aa	242 aa	29.8 %
Drosophila melanogaster	CG17239 gene product from transcript CG17239-RB	Trypsin II	247 aa	224 aa	34.4 %
Drosophila melanogaster	CG31267 gene product from transcript CG31267-RA	Trypsin II	247 aa	263 aa	32.7 %
Echinococcus multilocularis	transmembrane protease serine 3	Trypsin II	247 aa	233 aa	34.8 %
Drosophila melanogaster	Jonah 65Aii	Trypsin II	247 aa	237 aa	35.4 %
Drosophila melanogaster	CG10405 gene product from transcript CG10405-RB	Trypsin II	247 aa	254 aa	33.1 %
Drosophila melanogaster	CG3505 gene product from transcript CG3505-RA	Trypsin II	247 aa	236 aa	30.1 %
Schistosoma mansoni	aminopeptidase PILS (M01 family)	Trypsin II	247 aa	298 aa	24.5 %
Drosophila melanogaster	Jonah 65Aiii	Trypsin II	247 aa	238 aa	32.8 %
Schistosoma japonicum	Enteropeptidase, putative	Trypsin II	247 aa	267 aa	26.2 %
Onchocerca volvulus		Trypsin II	247 aa	258 aa	22.9 %
Echinococcus granulosus	Mastin	Trypsin II	247 aa	306 aa	25.2 %
Drosophila melanogaster	CG5909 gene product from transcript CG5909-RA	Trypsin II	247 aa	257 aa	28.8 %
Drosophila melanogaster	CG9673 gene product from transcript CG9673-RB	Trypsin II	247 aa	258 aa	26.4 %
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Trypsin II	247 aa	247 aa	34.0 %
Schistosoma mansoni	cercarial elastase (S01 family)	Trypsin II	247 aa	217 aa	23.0 %
Drosophila melanogaster	Spatzle-Processing Enzyme	Trypsin II	247 aa	269 aa	27.5 %
Drosophila melanogaster	Jonah 66Ci	Trypsin II	247 aa	237 aa	30.4 %
Drosophila melanogaster	CG14990 gene product from transcript CG14990-RA	Trypsin II	247 aa	238 aa	30.2 %
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	Trypsin II	247 aa	302 aa	25.5 %
Drosophila melanogaster	CG30288 gene product from transcript CG30288-RC	Trypsin II	247 aa	248 aa	28.6 %
Drosophila melanogaster	CG18420 gene product from transcript CG18420-RA	Trypsin II	247 aa	233 aa	28.3 %
Echinococcus granulosus	transmembrane protease serine 3	Trypsin II	247 aa	233 aa	34.3 %
Drosophila melanogaster	CG30083 gene product from transcript CG30083-RB	Trypsin II	247 aa	205 aa	30.2 %
Drosophila melanogaster	CG33465 gene product from transcript CG33465-RC	Trypsin II	247 aa	203 aa	20.7 %
Echinococcus multilocularis	enteropeptidase	Trypsin II	247 aa	227 aa	26.0 %
Drosophila melanogaster	CG30287 gene product from transcript CG30287-RA	Trypsin II	247 aa	251 aa	27.1 %
Drosophila melanogaster	CG31220 gene product from transcript CG31220-RB	Trypsin II	247 aa	224 aa	29.5 %
Echinococcus multilocularis	Mastin	Trypsin II	247 aa	306 aa	25.5 %
Drosophila melanogaster	CG30323 gene product from transcript CG30323-RB	Trypsin II	247 aa	212 aa	23.6 %
Drosophila melanogaster	Jonah 99Ci	Trypsin II	247 aa	268 aa	32.5 %
Schistosoma mansoni	cercarial elastase (S01 family)	Trypsin II	247 aa	239 aa	22.2 %
Drosophila melanogaster	CG32277 gene product from transcript CG32277-RA	Trypsin II	247 aa	240 aa	32.9 %
Schistosoma japonicum	Transmembrane protease, serine 9, putative	Trypsin II	247 aa	246 aa	24.8 %
Drosophila melanogaster	CG4815 gene product from transcript CG4815-RA	Trypsin II	247 aa	208 aa	27.4 %
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	Trypsin II	247 aa	287 aa	27.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma brucei	beta tubulin	0.0144	0.4105	0.371
Echinococcus multilocularis	tubulin gamma 1 chain	0.0157	0.4809	0.4809
Echinococcus multilocularis	beta tubulin	0.0256	1	1
Echinococcus granulosus	alpha tubulin	0.0193	0.6681	0.6681
Echinococcus multilocularis	Tubulin beta 2C chain	0.0256	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0193	0.6681	0.6681
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0193	0.6681	0.6681
Toxoplasma gondii	beta-1 tubulin, putative	0.0256	1	1
Trypanosoma brucei	tubulin gamma chain	0.0157	0.4809	0.4461
Trypanosoma brucei	beta tubulin	0.0256	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0193	0.6681	0.6681
Echinococcus granulosus	tubulin alpha chain	0.0193	0.6681	0.6681
Leishmania major	epsilon tubulin, putative	0.0157	0.4799	0.0798
Brugia malayi	tubulin alpha-2 chain	0.0193	0.6681	0.6681
Loa Loa (eye worm)	tubulin beta-4 chain	0.0256	1	1
Leishmania major	beta tubulin	0.0256	1	1
Trypanosoma brucei	alpha tubulin	0.0193	0.6681	0.6459
Leishmania major	beta tubulin	0.0256	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0078	0.0629	0.0629
Echinococcus multilocularis	hypothetical protein	0.0193	0.6681	0.6681
Trypanosoma cruzi	epsilon tubulin, putative	0.0157	0.4799	0.0798
Trichomonas vaginalis	tubulin alpha chain, putative	0.0256	1	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.0256	1	1
Leishmania major	beta tubulin	0.0256	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0193	0.6681	0.3607
Loa Loa (eye worm)	BEN-1 protein	0.0256	1	1
Schistosoma mansoni	tubulin subunit beta	0.0256	1	1
Leishmania major	alpha tubulin	0.0193	0.6681	0.4129
Echinococcus granulosus	tubulin alpha chain	0.0193	0.6681	0.6681
Leishmania major	alpha tubulin	0.0193	0.6681	0.4129
Schistosoma mansoni	tubulin subunit beta	0.0256	1	1
Mycobacterium tuberculosis	Cell division protein FtsZ	0.0066	0	0.5
Mycobacterium ulcerans	cell division protein FtsZ	0.0066	0	0.5
Echinococcus granulosus	tubulin alpha chain	0.0193	0.6681	0.6681
Giardia lamblia	Epsilon tubulin	0.0079	0.0694	0.0694
Toxoplasma gondii	alpha-tubulin I, putative	0.0193	0.6681	0.6434
Echinococcus granulosus	beta tubulin	0.0256	1	1
Echinococcus multilocularis	tubulin epsilon chain	0.0157	0.4799	0.4799
Echinococcus granulosus	Tubulin beta 2C chain	0.0256	1	1
Plasmodium falciparum	tubulin epsilon chain, putative	0.0157	0.4799	0.4799
Trichomonas vaginalis	tubulin alpha chain, putative	0.0078	0.0629	0.0629
Trichomonas vaginalis	tubulin alpha chain, putative	0.0078	0.0629	0.0629
Loa Loa (eye worm)	hypothetical protein	0.0115	0.2576	0.2576
Plasmodium falciparum	alpha tubulin 1	0.0193	0.6681	0.6681
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0193	0.6681	0.6681
Loa Loa (eye worm)	tubulin beta-1 chain	0.0256	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0193	0.6681	0.6681
Echinococcus multilocularis	tubulin alpha 3 chain	0.0193	0.6681	0.6681
Trichomonas vaginalis	tubulin beta chain, putative	0.0193	0.6681	0.6681
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0193	0.6681	0.6681
Brugia malayi	Tubulin gamma chain	0.0157	0.4809	0.4809
Echinococcus multilocularis	tubulin subunit beta	0.0256	1	1
Trypanosoma brucei	alpha tubulin	0.0193	0.6681	0.6459
Leishmania major	beta tubulin	0.0256	1	1
Plasmodium falciparum	tubulin gamma chain	0.0157	0.4809	0.4809
Trypanosoma brucei	beta tubulin	0.0256	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0193	0.6681	0.6681
Echinococcus multilocularis	tubulin alpha chain	0.0193	0.6681	0.6681
Leishmania major	alpha tubulin	0.0193	0.6681	0.4129
Loa Loa (eye worm)	beta-tubulin	0.0256	1	1
Leishmania major	beta tubulin	0.0256	1	1
Echinococcus granulosus	tubulin alpha chain	0.0193	0.6681	0.6681
Treponema pallidum	cell division protein FtsZ	0.0066	0	0.5
Echinococcus multilocularis	tubulin alpha chain	0.0193	0.6681	0.6681
Giardia lamblia	Alpha-tubulin	0.0193	0.6681	0.6681
Trichomonas vaginalis	tubulin gamma chain, putative	0.0256	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0193	0.6681	0.6681
Echinococcus multilocularis	tubulin alpha 1C chain	0.0193	0.6681	0.6681
Plasmodium falciparum	tubulin beta chain	0.0256	1	1
Entamoeba histolytica	tubulin alpha chain, putative	0.0193	0.6681	0.3607
Trypanosoma cruzi	beta tubulin, putative	0.0256	1	1
Schistosoma mansoni	alpha tubulin	0.0193	0.6681	0.6681
Loa Loa (eye worm)	alpha-tubulin	0.0193	0.6681	0.6681
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0256	1	1
Trichomonas vaginalis	tubulin, putative	0.0078	0.0629	0.0629
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0127	0.3205	0.3205
Plasmodium vivax	tubulin alpha chain, putative	0.0193	0.6681	0.6681
Leishmania major	beta tubulin	0.0256	1	1
Trypanosoma cruzi	tubulin gamma chain	0.0157	0.4809	0.0817
Giardia lamblia	Beta tubulin	0.0256	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0256	1	1
Toxoplasma gondii	alpha tubulin TUBA1	0.0193	0.6681	0.6434
Echinococcus multilocularis	Tubulin beta 2C chain	0.0256	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0256	1	1
Leishmania major	gamma-tubulin	0.0157	0.4809	0.0817
Leishmania major	zeta tubulin, putative	0.0204	0.7268	0.5167
Trypanosoma brucei	zeta tubulin	0.0204	0.7268	0.7085
Schistosoma mansoni	tubulin subunit alpha	0.0193	0.6681	0.6681
Schistosoma mansoni	tubulin subunit beta	0.0256	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0193	0.6681	0.6681
Echinococcus multilocularis	tubulin alpha	0.0144	0.4105	0.4105
Leishmania major	alpha tubulin	0.0193	0.6681	0.4129
Trichomonas vaginalis	tubulin alpha chain, putative	0.0144	0.4105	0.4105
Echinococcus granulosus	beta tubulin	0.0256	1	1
Plasmodium vivax	tubulin epsilon chain, putative	0.0157	0.4799	0.4799
Leishmania major	beta tubulin	0.0256	1	1
Entamoeba histolytica	tubulin family protein	0.0256	1	1
Loa Loa (eye worm)	hypothetical protein	0.0127	0.3205	0.3205
Loa Loa (eye worm)	tubulin gamma chain	0.0157	0.4809	0.4809
Echinococcus multilocularis	tubulin beta 1 chain	0.0256	1	1
Giardia lamblia	Beta tubulin	0.0256	1	1
Echinococcus granulosus	tubulin alpha	0.0144	0.4105	0.4105
Echinococcus multilocularis	Tubulin beta 2C chain	0.0256	1	1
Leishmania major	alpha tubulin	0.0193	0.6681	0.4129
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0193	0.6681	0.6681
Leishmania major	alpha tubulin	0.0193	0.6681	0.4129
Trichomonas vaginalis	tubulin gamma chain, putative	0.0157	0.4809	0.4809
Leishmania major	beta tubulin	0.0256	1	1
Leishmania major	beta tubulin	0.0256	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0193	0.6681	0.6681
Echinococcus granulosus	tubulin subunit TubB	0.0193	0.6681	0.6681
Echinococcus granulosus	Tubulin beta 2C chain	0.0256	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0149	0.4348	0.3926
Onchocerca volvulus		0.012	0.2827	1
Loa Loa (eye worm)	BEN-1 protein	0.0256	1	1
Trypanosoma brucei	alpha tubulin	0.0193	0.6681	0.6459
Brugia malayi	Trypsin family protein	0.012	0.2827	0.2827
Loa Loa (eye worm)	tubulin beta chain	0.0256	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.0256	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0193	0.6681	0.6681
Giardia lamblia	Gamma tubulin	0.0157	0.4809	0.4809
Echinococcus multilocularis	Tubulin beta 2C chain	0.0256	1	1
Brugia malayi	Tubulin beta chain	0.0078	0.0629	0.0629
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0078	0.0629	0.0629
Loa Loa (eye worm)	hypothetical protein	0.012	0.2827	0.2827
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0115	0.2576	0.2576
Toxoplasma gondii	beta-tubulin, putative	0.0256	1	1
Trypanosoma cruzi	alpha tubulin, putative	0.0193	0.6681	0.4129
Trichomonas vaginalis	tubulin, putative	0.0079	0.0704	0.0704
Schistosoma mansoni	tubulin subunit alpha	0.0193	0.6681	0.6681
Echinococcus granulosus	tubulin alpha 3 chain	0.0193	0.6681	0.6681
Trichomonas vaginalis	tubulin beta chain, putative	0.0078	0.0629	0.0629
Trichomonas vaginalis	tubulin beta chain, putative	0.0193	0.6681	0.6681
Trypanosoma brucei	epsilon tubulin	0.0157	0.4799	0.445
Schistosoma mansoni	tubulin subunit alpha	0.0193	0.6681	0.6681
Schistosoma mansoni	tubulin subunit beta	0.0256	1	1
Trypanosoma brucei	beta tubulin	0.0256	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0127	0.3205	0.3205
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0193	0.6681	0.6681
Loa Loa (eye worm)	hypothetical protein	0.0193	0.6681	0.6681
Echinococcus granulosus	tubulin alpha 1C chain	0.0193	0.6681	0.6681
Echinococcus granulosus	tubulin alpha chain	0.0193	0.6681	0.6681
Plasmodium vivax	tubulin beta chain, putative	0.0256	1	1
Echinococcus granulosus	tubulin epsilon chain	0.0157	0.4799	0.4799
Brugia malayi	Tubulin alpha-2 chain	0.0193	0.6681	0.6681
Echinococcus multilocularis	peroxisome assembly protein 26	0.0193	0.6681	0.6681
Brugia malayi	Tubulin alpha chain	0.0193	0.6681	0.6681
Schistosoma mansoni	tubulin subunit beta	0.0256	1	1
Leishmania major	beta tubulin	0.0256	1	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.012	0.2827	0.2827
Trichomonas vaginalis	tubulin beta chain, putative	0.0193	0.6681	0.6681
Loa Loa (eye worm)	alpha-tubulin	0.0193	0.6681	0.6681
Brugia malayi	Tubulin alpha-2 chain	0.0193	0.6681	0.6681
Leishmania major	beta tubulin	0.0256	1	1
Echinococcus granulosus	tubulin gamma 1 chain	0.0157	0.4809	0.4809
Brugia malayi	alpha-tubulin	0.0193	0.6681	0.6681
Loa Loa (eye worm)	tubulin alpha 2	0.0127	0.3205	0.3205
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.012	0.2827	0.2827
Leishmania major	beta tubulin	0.0256	1	1
Brugia malayi	tubulin alpha chain - mouse	0.0193	0.6681	0.6681
Giardia lamblia	Alpha-tubulin	0.0193	0.6681	0.6681
Toxoplasma gondii	beta tubulin	0.0256	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0193	0.6681	0.6681
Echinococcus granulosus	tubulin beta 1 chain	0.0256	1	1
Echinococcus granulosus	tubulin subunit beta	0.0256	1	1
Echinococcus multilocularis	beta tubulin	0.0256	1	1
Leishmania major	alpha tubulin	0.0193	0.6681	0.4129
Trypanosoma brucei	epsilon tubulin	0.0144	0.4105	0.371
Echinococcus multilocularis	tubulin alpha 1C chain	0.0193	0.6681	0.6681
Trypanosoma brucei	beta tubulin	0.0256	1	1
Echinococcus granulosus	peroxisome assembly protein 26	0.0193	0.6681	0.6681
Echinococcus multilocularis	Tubulin beta 2C chain	0.0256	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0193	0.6681	0.6681
Leishmania major	beta tubulin	0.0256	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0193	0.6681	0.6681
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0066	0	0.5
Entamoeba histolytica	tubulin family protein	0.0256	1	1
Leishmania major	alpha tubulin	0.0193	0.6681	0.4129
Schistosoma mansoni	tubulin subunit beta	0.0256	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0157	0.4799	0.4799
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0115	0.2576	0.2576
Trichomonas vaginalis	tubulin beta chain, putative	0.0193	0.6681	0.6681
Plasmodium vivax	tubulin gamma chain, putative	0.0157	0.4809	0.4809
Trypanosoma brucei	epsilon tubulin	0.0157	0.4799	0.445
Plasmodium falciparum	alpha tubulin 2	0.0193	0.6681	0.6681
Schistosoma mansoni	alpha tubulin	0.0193	0.6681	0.6681
Trichomonas vaginalis	tubulin, putative	0.0256	1	1
Loa Loa (eye worm)	hypothetical protein	0.012	0.2827	0.2827
Schistosoma mansoni	tubulin subunit epsilon	0.0157	0.4799	0.4799
Leishmania major	alpha tubulin	0.0193	0.6681	0.4129
Leishmania major	alpha tubulin	0.0193	0.6681	0.4129
Trypanosoma cruzi	epsilon tubulin, putative	0.0157	0.4799	0.0798
Trypanosoma brucei	zeta tubulin, putative	0.0204	0.7268	0.7085
Giardia lamblia	Beta tubulin	0.0256	1	1
Leishmania major	beta tubulin	0.0256	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0193	0.6681	0.6681
Trypanosoma cruzi	zeta tubulin, putative	0.0204	0.7268	0.5167
Leishmania major	alpha tubulin	0.0193	0.6681	0.4129
Loa Loa (eye worm)	tubulin alpha chain	0.0193	0.6681	0.6681
Schistosoma mansoni	alpha tubulin	0.0193	0.6681	0.6681
Echinococcus multilocularis	tubulin alpha chain	0.0193	0.6681	0.6681
Leishmania major	beta tubulin	0.0256	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0204	0.7268	0.5167
Brugia malayi	beta-tubulin, identical	0.0256	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0193	0.6681	0.6681
Schistosoma mansoni	tubulin subunit gamma	0.0157	0.4809	0.4809
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0127	0.3205	0.3205
Trichomonas vaginalis	tubulin, putative	0.0078	0.0629	0.0629
Mycobacterium leprae	cell division protein FtsZ	0.0066	0	0.5
Echinococcus granulosus	Tubulin beta 2C chain	0.0256	1	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.0256	1	1
Leishmania major	beta tubulin	0.0256	1	1
Trypanosoma brucei	tubulin delta chain	0.0149	0.4348	0.3968
Onchocerca volvulus		0.0106	0.2124	0.6802
Trichomonas vaginalis	tubulin beta chain, putative	0.0193	0.6681	0.6681
Leishmania major	beta tubulin	0.0256	1	1
Trypanosoma brucei	alpha tubulin	0.0193	0.6681	0.6459
Trichomonas vaginalis	tubulin beta chain, putative	0.0256	1	1
Leishmania major	alpha tubulin	0.0193	0.6681	0.4129
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0144	0.4105	0.3666
Echinococcus multilocularis	tubulin subunit TubB	0.0193	0.6681	0.6681
Leishmania major	beta tubulin	0.0256	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0256	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 919 nM	Inhibition of human coagulation factor Xa	ChEMBL.	10479289
Ki (binding)	= 919 nM	Inhibition of human coagulation factor Xa	ChEMBL.	10479289
Ki (binding)	> 2900 nM	Inhibition of bovine pancreatic trypsin	ChEMBL.	10479289
Ki (binding)	> 2900 nM	Inhibition of bovine pancreatic trypsin	ChEMBL.	10479289
Ki (binding)	> 4000 nM	Inhibition of human coagulation factor II	ChEMBL.	10479289
Ki (binding)	> 4000 nM	Inhibition of human coagulation factor II	ChEMBL.	10479289

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL331561
PubChem: 10554052

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 206062