TDR Targets

Basic information

Technical information

TDR Targets ID: 1388264
Name: 2-acetamido-N-(2,6-dimethylphenyl)-4-methylsu lfonylbutanamide
MW: 326.411 | Formula: C15H22N2O4S
H donors: 2 H acceptors: 4 LogP: 0.94 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(=O)NC(C(=O)Nc1c(C)cccc1C)CCS(=O)(=O)C
InChi: 1S/C15H22N2O4S/c1-10-6-5-7-11(2)14(10)17-15(19)13(16-12(3)18)8-9-22(4,20)21/h5-7,13H,8-9H2,1-4H3,(H,16,18)(H,17,19)
InChiKey: VASMAJKASNTDFB-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

2-acetamido-N-(2,6-dimethylphenyl)-4-methylsulfonyl-butanamide
N-[1-[(2,6-dimethylphenyl)carbamoyl]-3-mesyl-propyl]acetamide
SMR000017784
MLS000101548

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	APEX nuclease (multifunctional DNA repair enzyme) 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma congolense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium knowlesi	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania mexicana	apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Theileria parva	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania braziliensis	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma mansoni	ap endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10771 AP endonuclease 1, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	DNA-(apurinic or apyrimidinic site) lyase 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania infantum	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Candida albicans	similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Leishmania donovani	apurinic/apyrimidinic endonuclease-redox protein	Get druggable targets OG5_126768	All targets in OG5_126768
Neospora caninum	hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium parvum	conserved hypothetical protein	Get druggable targets OG5_126768	All targets in OG5_126768
Toxoplasma gondii	exonuclease III APE	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	Get druggable targets OG5_126768	All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi	exonuclease III	Get druggable targets OG5_126768	All targets in OG5_126768
Trichomonas vaginalis	ap endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium yoelii	putative AP endonuclease-related	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium berghei	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	Get druggable targets OG5_126768	All targets in OG5_126768
Treponema pallidum	exodeoxyribonuclease (exoA)	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	Get druggable targets OG5_126768	All targets in OG5_126768
Schistosoma japonicum	ko:K10772 AP endonuclease 2, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Entamoeba histolytica	exodeoxyribonuclease III, putative	Get druggable targets OG5_126768	All targets in OG5_126768
Cryptosporidium hominis	dna-(apurinic or apyrimidinic site) lyase	Get druggable targets OG5_126768	All targets in OG5_126768
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	Get druggable targets OG5_126768	All targets in OG5_126768
Trypanosoma brucei gambiense	apurinic/apyrimidinic endonuclease, putative	Get druggable targets OG5_126768	All targets in OG5_126768

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	peroxisome assembly protein 26	0.0377	0.7235	0.7235
Giardia lamblia	Beta tubulin	0.05	1	1
Echinococcus granulosus	tubulin alpha	0.0281	0.5088	0.5088
Leishmania major	alpha tubulin	0.0377	0.7235	0.7235
Plasmodium falciparum	alpha tubulin 2	0.0377	0.7235	0.6681
Mycobacterium ulcerans	cell division protein FtsZ	0.0129	0.1668	0.5
Leishmania major	alpha tubulin	0.0377	0.7235	0.7235
Schistosoma mansoni	tubulin subunit beta	0.05	1	1
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0155	0.2245	0.2245
Loa Loa (eye worm)	tubulin gamma chain	0.0307	0.5675	0.5675
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.05	1	1
Trypanosoma brucei	epsilon tubulin	0.0307	0.5666	0.5666
Echinococcus granulosus	beta tubulin	0.05	1	1
Trypanosoma brucei	beta tubulin	0.05	1	1
Loa Loa (eye worm)	hypothetical protein	0.0377	0.7235	0.7235
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0377	0.7235	0.7235
Trypanosoma cruzi	zeta tubulin, putative	0.0398	0.7724	0.7724
Schistosoma mansoni	tubulin subunit alpha	0.0129	0.1668	0.1668
Echinococcus multilocularis	beta tubulin	0.05	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.05	1	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.5013	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0248	0.4338	0.4338
Echinococcus multilocularis	tubulin alpha chain	0.0377	0.7235	0.7235
Trichomonas vaginalis	tubulin alpha chain, putative	0.0152	0.2192	0.2192
Leishmania major	zeta tubulin, putative	0.0398	0.7724	0.7724
Loa Loa (eye worm)	tubulin alpha chain	0.0377	0.7235	0.7235
Echinococcus granulosus	tubulin alpha chain	0.0377	0.7235	0.7235
Leishmania major	beta tubulin	0.05	1	1
Leishmania major	alpha tubulin	0.0377	0.7235	0.7235
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0377	0.7235	0.7235
Leishmania major	beta tubulin	0.05	1	1
Trypanosoma brucei	beta tubulin	0.05	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0152	0.2192	0.2192
Brugia malayi	Tubulin alpha-2 chain	0.0377	0.7235	0.7235
Giardia lamblia	Alpha-tubulin	0.0377	0.7235	0.7235
Echinococcus multilocularis	tubulin alpha 1C chain	0.0377	0.7235	0.7235
Trichomonas vaginalis	tubulin, putative	0.0152	0.2192	0.2192
Schistosoma mansoni	tubulin subunit beta	0.05	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0377	0.7235	0.7235
Toxoplasma gondii	alpha tubulin TUBA1	0.0377	0.7235	0.7235
Entamoeba histolytica	tubulin family protein	0.05	1	1
Toxoplasma gondii	beta-tubulin, putative	0.05	1	1
Loa Loa (eye worm)	tubulin alpha chain	0.0377	0.7235	0.7235
Brugia malayi	tubulin alpha-2 chain	0.0377	0.7235	0.7235
Leishmania major	gamma-tubulin	0.0307	0.5675	0.5675
Loa Loa (eye worm)	tubulin alpha 2	0.0248	0.4338	0.4338
Echinococcus multilocularis	Tubulin beta 2C chain	0.05	1	1
Leishmania major	alpha tubulin	0.0377	0.7235	0.7235
Trypanosoma brucei	tubulin delta chain	0.029	0.529	0.529
Schistosoma mansoni	alpha tubulin	0.0377	0.7235	0.7235
Trypanosoma brucei	alpha tubulin	0.0377	0.7235	0.7235
Trypanosoma cruzi	tubulin delta chain	0.029	0.529	0.529
Leishmania major	beta tubulin	0.05	1	1
Leishmania major	beta tubulin	0.05	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0377	0.7235	0.7235
Treponema pallidum	cell division protein FtsZ	0.0129	0.1668	0.5
Trichomonas vaginalis	tubulin, putative	0.05	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0377	0.7235	0.7235
Brugia malayi	Cell division protein ftsZ	0.0129	0.1668	0.1668
Echinococcus multilocularis	tubulin delta chain	0.0129	0.1668	0.1668
Trichomonas vaginalis	tubulin gamma chain, putative	0.0307	0.5666	0.5666
Schistosoma mansoni	hypothetical protein	0.0182	0.2858	0.2858
Brugia malayi	Tubulin beta chain	0.0152	0.2192	0.2192
Trichomonas vaginalis	tubulin epsilon chain, putative	0.05	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0377	0.7235	0.7235
Echinococcus granulosus	tubulin beta 4A class IVa	0.05	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0281	0.5088	0.5088
Trypanosoma brucei	zeta tubulin, putative	0.0398	0.7724	0.7724
Plasmodium vivax	tubulin alpha chain, putative	0.0377	0.7235	0.6681
Schistosoma mansoni	tubulin subunit alpha	0.0377	0.7235	0.7235
Echinococcus granulosus	tubulin beta 1 chain	0.05	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0377	0.7235	0.7235
Toxoplasma gondii	alpha-tubulin I, putative	0.0377	0.7235	0.7235
Trypanosoma cruzi	alpha tubulin, putative	0.0377	0.7235	0.7235
Schistosoma mansoni	tubulin subunit epsilon	0.0307	0.5666	0.5666
Echinococcus granulosus	alpha tubulin	0.0377	0.7235	0.7235
Brugia malayi	Tubulin beta chain	0.0129	0.1668	0.1668
Trypanosoma cruzi	epsilon tubulin, putative	0.0307	0.5666	0.5666
Trichomonas vaginalis	conserved hypothetical protein	0.0129	0.1668	0.1668
Echinococcus granulosus	tubulin delta chain	0.0129	0.1668	0.1668
Trypanosoma brucei	epsilon tubulin	0.0307	0.5666	0.5666
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.0281	0.5088	0.5088
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0129	0.1668	0.1668
Schistosoma mansoni	tubulin subunit beta	0.0129	0.1668	0.1668
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0377	0.7235	0.7235
Trichomonas vaginalis	tubulin beta chain, putative	0.0377	0.7235	0.7235
Trypanosoma brucei	alpha tubulin	0.0377	0.7235	0.7235
Leishmania major	epsilon tubulin, putative	0.0307	0.5666	0.5666
Toxoplasma gondii	tubulin/FtsZ family, GTPase domain-containing protein	0.029	0.529	0.529
Trichomonas vaginalis	tubulin beta-1 chain, putative	0.0129	0.1668	0.1668
Brugia malayi	Tubulin alpha chain	0.0129	0.1668	0.1668
Leishmania major	beta tubulin	0.05	1	1
Leishmania major	alpha tubulin	0.0377	0.7235	0.7235
Onchocerca volvulus		0.0152	0.2192	0.5
Plasmodium vivax	tubulin beta chain, putative	0.05	1	1
Brugia malayi	alpha-tubulin	0.0377	0.7235	0.7235
Trichomonas vaginalis	tubulin beta chain, putative	0.0377	0.7235	0.7235
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0377	0.7235	0.7235
Echinococcus granulosus	Tubulin alpha 1 chain	0.0377	0.7235	0.7235
Echinococcus granulosus	tubulin alpha chain	0.0377	0.7235	0.7235
Echinococcus multilocularis	tubulin alpha chain	0.0377	0.7235	0.7235
Giardia lamblia	Delta tubulin	0.0129	0.1668	0.1668
Giardia lamblia	Alpha-tubulin	0.0377	0.7235	0.7235
Echinococcus granulosus	tubulin alpha chain	0.0377	0.7235	0.7235
Trichomonas vaginalis	tubulin alpha chain, putative	0.0152	0.2192	0.2192
Giardia lamblia	Beta tubulin	0.05	1	1
Loa Loa (eye worm)	tubulin beta-4 chain	0.05	1	1
Loa Loa (eye worm)	tubulin beta chain	0.05	1	1
Echinococcus granulosus	tubulin subunit beta	0.05	1	1
Trypanosoma cruzi	zeta tubulin, putative	0.0398	0.7724	0.7724
Entamoeba histolytica	tubulin family protein	0.05	1	1
Trichomonas vaginalis	tubulin, putative	0.0152	0.2192	0.2192
Plasmodium falciparum	tubulin gamma chain	0.0307	0.5675	0.4809
Schistosoma mansoni	tubulin subunit delta	0.0129	0.1668	0.1668
Leishmania major	beta tubulin	0.05	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0096	0.0917	0.0917
Plasmodium falciparum	tubulin beta chain	0.05	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0377	0.7235	0.7235
Brugia malayi	Tubulin alpha-2 chain	0.0377	0.7235	0.7235
Trichomonas vaginalis	conserved hypothetical protein	0.0129	0.1668	0.1668
Echinococcus multilocularis	tubulin alpha	0.0281	0.5088	0.5088
Trichomonas vaginalis	tubulin beta chain, putative	0.0377	0.7235	0.7235
Leishmania major	beta tubulin	0.05	1	1
Schistosoma mansoni	tubulin subunit gamma	0.0307	0.5675	0.5675
Trypanosoma brucei	beta tubulin	0.0281	0.5088	0.5088
Plasmodium falciparum	tubulin epsilon chain, putative	0.0307	0.5666	0.4799
Entamoeba histolytica	tubulin alpha-1 chain	0.0377	0.7235	0.3607
Leishmania major	beta tubulin	0.05	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0377	0.7235	0.7235
Echinococcus granulosus	tubulin gamma 1 chain	0.0307	0.5675	0.5675
Leishmania major	alpha tubulin	0.0377	0.7235	0.7235
Echinococcus multilocularis	Tubulin beta 2C chain	0.05	1	1
Leishmania major	alpha tubulin	0.0377	0.7235	0.7235
Trichomonas vaginalis	tubulin gamma chain, putative	0.05	1	1
Schistosoma mansoni	tubulin subunit beta	0.05	1	1
Leishmania major	alpha tubulin	0.0377	0.7235	0.7235
Trichomonas vaginalis	tubulin beta chain, putative	0.05	1	1
Leishmania major	beta tubulin	0.05	1	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0377	0.7235	0.7235
Plasmodium vivax	tubulin epsilon chain, putative	0.0307	0.5666	0.4799
Toxoplasma gondii	beta-1 tubulin, putative	0.05	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0152	0.2192	0.2192
Trichomonas vaginalis	tubulin beta chain, putative	0.0377	0.7235	0.7235
Plasmodium vivax	tubulin gamma chain, putative	0.0307	0.5675	0.4809
Echinococcus granulosus	tubulin alpha chain	0.0377	0.7235	0.7235
Echinococcus granulosus	tubulin alpha 3 chain	0.0377	0.7235	0.7235
Leishmania major	beta tubulin	0.05	1	1
Wolbachia endosymbiont of Brugia malayi	cell division protein FtsZ	0.0129	0.1668	0.5
Loa Loa (eye worm)	hypothetical protein	0.0224	0.3814	0.3814
Schistosoma mansoni	alpha tubulin	0.0377	0.7235	0.7235
Loa Loa (eye worm)	tubulin beta chain	0.0129	0.1668	0.1668
Loa Loa (eye worm)	tubulin alpha-3 chain	0.0224	0.3814	0.3814
Leishmania major	beta tubulin	0.05	1	1
Leishmania major	beta tubulin	0.05	1	1
Toxoplasma gondii	beta tubulin	0.05	1	1
Schistosoma mansoni	alpha tubulin	0.0377	0.7235	0.7235
Echinococcus granulosus	tubulin alpha 1C chain	0.0377	0.7235	0.7235
Trichomonas vaginalis	tubulin beta chain, putative	0.0377	0.7235	0.7235
Trypanosoma brucei	zeta tubulin	0.0398	0.7724	0.7724
Trypanosoma brucei	epsilon tubulin	0.0281	0.5088	0.5088
Trypanosoma cruzi	beta tubulin, putative	0.05	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0377	0.7235	0.7235
Leishmania major	alpha tubulin	0.0377	0.7235	0.7235
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0377	0.7235	0.7235
Brugia malayi	Tubulin alpha chain	0.0377	0.7235	0.7235
Schistosoma mansoni	tubulin subunit beta	0.05	1	1
Trypanosoma brucei	tubulin gamma chain	0.0307	0.5675	0.5675
Loa Loa (eye worm)	alpha-tubulin	0.0377	0.7235	0.7235
Echinococcus multilocularis	tubulin alpha chain	0.0377	0.7235	0.7235
Echinococcus multilocularis	tubulin subunit TubB	0.0377	0.7235	0.7235
Echinococcus granulosus	peroxisome assembly protein 26	0.0377	0.7235	0.7235
Schistosoma mansoni	tubulin subunit beta	0.05	1	1
Leishmania major	beta tubulin	0.05	1	1
Echinococcus multilocularis	tubulin subunit beta	0.05	1	1
Leishmania major	beta tubulin	0.05	1	1
Leishmania major	alpha tubulin	0.0377	0.7235	0.7235
Trichomonas vaginalis	tubulin gamma chain, putative	0.0129	0.1668	0.1668
Echinococcus multilocularis	Tubulin beta 2C chain	0.05	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0377	0.7235	0.7235
Echinococcus multilocularis	beta tubulin	0.05	1	1
Echinococcus granulosus	tubulin alpha 1C chain	0.0377	0.7235	0.7235
Echinococcus granulosus	Tubulin beta 2C chain	0.05	1	1
Loa Loa (eye worm)	tubulin beta-1 chain	0.05	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0307	0.5675	0.5675
Echinococcus granulosus	Tubulin beta 2C chain	0.05	1	1
Loa Loa (eye worm)	tubulin beta-2A chain	0.05	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.05	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0248	0.4338	0.4338
Loa Loa (eye worm)	hypothetical protein	0.0248	0.4338	0.4338
Leishmania major	beta tubulin	0.05	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0224	0.3814	0.3814
Echinococcus multilocularis	tubulin alpha 3 chain	0.0377	0.7235	0.7235
Echinococcus multilocularis	tubulin beta 1 chain	0.05	1	1
Trichomonas vaginalis	tubulin, putative	0.0155	0.2254	0.2254
Echinococcus multilocularis	geminin	0.0182	0.2858	0.2858
Brugia malayi	tubulin alpha chain - mouse	0.0377	0.7235	0.7235
Trypanosoma brucei	alpha tubulin	0.0377	0.7235	0.7235
Trypanosoma cruzi	tubulin delta chain	0.029	0.529	0.529
Leishmania major	beta tubulin	0.05	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.05	1	1
Brugia malayi	Tubulin gamma chain	0.0307	0.5675	0.5675
Loa Loa (eye worm)	BEN-1 protein	0.05	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0377	0.7235	0.7235
Leishmania major	beta tubulin	0.05	1	1
Leishmania major	delta tubulin, putative	0.029	0.529	0.529
Giardia lamblia	Gamma tubulin	0.0307	0.5675	0.5675
Loa Loa (eye worm)	beta-tubulin	0.05	1	1
Echinococcus multilocularis	tubulin epsilon chain	0.0307	0.5666	0.5666
Trypanosoma cruzi	epsilon tubulin, putative	0.0307	0.5666	0.5666
Plasmodium vivax	tubulin alpha chain, putative	0.0377	0.7235	0.6681
Trypanosoma brucei	alpha tubulin	0.0377	0.7235	0.7235
Echinococcus granulosus	Tubulin beta 2C chain	0.05	1	1
Giardia lamblia	Epsilon tubulin	0.0155	0.2245	0.2245
Echinococcus multilocularis	tubulin alpha 3 chain	0.0377	0.7235	0.7235
Mycobacterium leprae	cell division protein FtsZ	0.0129	0.1668	0.5
Entamoeba histolytica	tubulin alpha chain, putative	0.0377	0.7235	0.3607
Giardia lamblia	Beta tubulin	0.05	1	1
Brugia malayi	beta-tubulin, identical	0.05	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.0152	0.2192	0.2192
Trypanosoma cruzi	tubulin gamma chain	0.0307	0.5675	0.5675
Echinococcus granulosus	beta tubulin	0.05	1	1
Leishmania major	beta tubulin	0.05	1	1
Echinococcus multilocularis	tubulin gamma 1 chain	0.0307	0.5675	0.5675
Echinococcus granulosus	tubulin epsilon chain	0.0307	0.5666	0.5666
Echinococcus multilocularis	hypothetical protein	0.0377	0.7235	0.7235
Trypanosoma brucei	beta tubulin	0.05	1	1
Trypanosoma brucei	beta tubulin	0.05	1	1
Loa Loa (eye worm)	BEN-1 protein	0.05	1	1
Echinococcus granulosus	geminin	0.0182	0.2858	0.2858
Echinococcus multilocularis	Tubulin beta 2C chain	0.05	1	1
Leishmania major	alpha tubulin	0.0377	0.7235	0.7235
Leishmania major	alpha tubulin	0.0377	0.7235	0.7235
Trichomonas vaginalis	tubulin beta chain, putative	0.0377	0.7235	0.7235
Echinococcus granulosus	tubulin alpha chain	0.0377	0.7235	0.7235
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0248	0.4338	0.4338
Schistosoma mansoni	tubulin subunit beta	0.05	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.05	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.05	1	1
Schistosoma mansoni	hypothetical protein	0.0182	0.2858	0.2858
Plasmodium falciparum	alpha tubulin 1	0.0377	0.7235	0.6681
Echinococcus granulosus	tubulin subunit TubB	0.0377	0.7235	0.7235
Trypanosoma brucei	alpha tubulin, putative	0.0152	0.2192	0.2192

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.4147 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	1.4125 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 2.2387 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 2.2387 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1540714

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1388264