TDR Targets

Basic information

Technical information

TDR Targets ID: 833303
Name: butyl 4-[(8-methyl-[1,2,4]triazolo[3,4-c]quin oxalin-4-yl)amino]benzoate
MW: 375.424 | Formula: C21H21N5O2
H donors: 1 H acceptors: 4 LogP: 4.87 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCCOC(=O)c1ccc(cc1)Nc1nc2ccc(cc2n2c1nnc2)C
InChi: 1S/C21H21N5O2/c1-3-4-11-28-21(27)15-6-8-16(9-7-15)23-19-20-25-22-13-26(20)18-12-14(2)5-10-17(18)24-19/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,24)
InChiKey: RXUOMGQDWVHUQR-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

4-[(8-methyl-[1,2,4]triazolo[3,4-c]quinoxalin-4-yl)amino]benzoic acid butyl ester
C735-0309
NCGC00112727-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Bacillus subtilis (strain 168)	ATP-dependent Clp protease proteolytic subunit	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Brugia malayi	Probable ClpP-like protease	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	peptidase Clp S14 family	Get druggable targets OG5_127187	All targets in OG5_127187
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	Get druggable targets OG5_127187	All targets in OG5_127187
Neospora caninum	ATP-dependent Clp protease proteolytic subunit, related	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma mansoni	peptidase Clp (S14 family)	Get druggable targets OG5_127187	All targets in OG5_127187
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Schistosoma japonicum	ko:K01358 ATP-dependent Clp protease, protease subunit [EC3.4.21.92], putative	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	Get druggable targets OG5_127187	All targets in OG5_127187
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	Get druggable targets OG5_127187	All targets in OG5_127187
Babesia bovis	ATP-dependent Clp protease proteolytic subunit 1, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	Get druggable targets OG5_127187	All targets in OG5_127187
Schistosoma japonicum	ko:K06275 parvin, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Plasmodium yoelii	ATP-dependent Clp protease, proteolytic subunit ClpP, putative	Get druggable targets OG5_127187	All targets in OG5_127187
Theileria parva	ATP-dependent Clp protease proteolytic subunit, putative	Get druggable targets OG5_127187	All targets in OG5_127187

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Chlamydia trachomatis	hypothetical protein	ATP-dependent Clp protease proteolytic subunit	197 aa	171 aa	22.8 %
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.1 %
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	ATP-dependent Clp protease proteolytic subunit	197 aa	186 aa	40.3 %
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	ATP-dependent Clp protease proteolytic subunit	197 aa	172 aa	57.0 %
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	35.5 %
Plasmodium knowlesi	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	189 aa	36.0 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Babesia bovis	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	188 aa	41.5 %
Plasmodium yoelii	Clp protease	ATP-dependent Clp protease proteolytic subunit	197 aa	183 aa	36.6 %
Schistosoma mansoni	neuropeptide receptor	ATP-dependent Clp protease proteolytic subunit	197 aa	174 aa	20.1 %
Onchocerca volvulus	Putative V-type proton ATPase subunit F	ATP-dependent Clp protease proteolytic subunit	197 aa	194 aa	54.1 %
Plasmodium berghei	ATP-dependent Clp protease proteolytic subunit, putative	ATP-dependent Clp protease proteolytic subunit	197 aa	180 aa	36.7 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	ion channel protein	0.0096	0.0168	1
Schistosoma mansoni	twik family of potassium channels-related	0.0096	0.0168	0.0005
Loa Loa (eye worm)	hypothetical protein	0.08	0.2719	0.2719
Brugia malayi	hypothetical protein	0.0096	0.0168	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0113	0.0229	0.2767
Echinococcus multilocularis	small conductance calcium activated potassium	0.2811	1	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0846	0.2886	0.2886
Onchocerca volvulus		0.0096	0.0168	0.5
Loa Loa (eye worm)	hypothetical protein	0.2811	1	1
Trypanosoma cruzi	ion transport protein, putative	0.0096	0.0168	1
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.0163	0.9729
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0062	0.0045	0.0045
Mycobacterium tuberculosis	Possible transmembrane cation transporter	0.0096	0.0168	0.2029
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0096	0.0168	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0096	0.0168	1
Schistosoma mansoni	calcium-activated potassium channel	0.2811	1	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Schistosoma mansoni	calcium-activated potassium channel	0.1784	0.6282	0.6221
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0096	0.0168	1
Onchocerca volvulus		0.0096	0.0168	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0096	0.0168	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0096	0.0168	0.5
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.0827	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0113	0.0229	0.2767
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0113	0.0229	0.8013
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0096	0.0168	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0094	0.0163	0.0163
Echinococcus granulosus	twik family of potassium channels	0.0096	0.0168	0.0168
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0096	0.0168	0.5
Loa Loa (eye worm)	uncoordinated protein 58	0.0096	0.0168	0.0168
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0096	0.0168	0.0168
Brugia malayi	hypothetical protein	0.0096	0.0168	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0062	0.0045	0.055
Echinococcus granulosus	peptidase Clp S14 family	0.0062	0.0045	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0096	0.0168	1
Schistosoma mansoni	calcium-activated potassium channel	0.0096	0.0168	0.0005
Echinococcus multilocularis	twik family of potassium channels	0.0096	0.0168	0.0168
Onchocerca volvulus		0.0096	0.0168	0.5
Onchocerca volvulus		0.0096	0.0168	0.5
Echinococcus multilocularis	calcium activated potassium channel variant	0.0096	0.0168	0.0168
Entamoeba histolytica	calcium-gated potassium channel protein, putative	0.0096	0.0168	0.5
Schistosoma mansoni	calcium-activated potassium channel	0.0096	0.0168	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0984	0.3385	0.3385
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0094	0.0163	0.9729
Giardia lamblia	Hypothetical protein	0.0096	0.0168	0.5
Onchocerca volvulus		0.0096	0.0168	0.5
Schistosoma mansoni	hypothetical protein	0.2811	1	1
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0163	0.5
Echinococcus multilocularis	potassium channel subfamily K 8	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	TWK-7 protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	TWK-28 protein	0.0096	0.0168	0.0168
Schistosoma mansoni	twik family of potassium channels-related	0.0096	0.0168	0.0005
Mycobacterium tuberculosis	Probable reductase	0.0113	0.0229	0.2767
Onchocerca volvulus		0.0096	0.0168	0.5
Schistosoma mansoni	twik family of potassium channels-related	0.0096	0.0168	0.0005
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0113	0.0229	0.2767
Brugia malayi	Probable ClpP-like protease	0.0094	0.0163	0.9729
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0096	0.0168	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0096	0.0168	1
Trypanosoma cruzi	ion transport protein, putative	0.0096	0.0168	1
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0096	0.0168	0.0168
Onchocerca volvulus		0.0096	0.0168	0.5
Plasmodium falciparum	potassium channel	0.0096	0.0168	1
Schistosoma mansoni	hypothetical protein	0.0096	0.0168	0.0005
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0096	0.0168	0.5
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0094	0.0163	0.0163
Schistosoma mansoni	twik family of potassium channels-related	0.0096	0.0168	0.0005
Echinococcus granulosus	potassium channel subfamily K 8	0.0096	0.0168	0.0168
Echinococcus granulosus	calcium activated potassium channel variant	0.0096	0.0168	0.0168
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0113	0.0229	0.2767
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0096	0.0168	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Leishmania major	calcium/potassium channel (CAKC), putative	0.0096	0.0168	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Trypanosoma cruzi	calcium-activated potassium channel, putative	0.0096	0.0168	1
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0094	0.0163	0.5147
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0096	0.0168	0.0168
Toxoplasma gondii	ion channel protein	0.0096	0.0168	1
Leishmania major	ion transport protein-like protein	0.0096	0.0168	1
Plasmodium vivax	potassium channel, putative	0.0096	0.0168	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0096	0.0168	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0062	0.0045	0.055
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Trypanosoma brucei	calcium-activated potassium channel, putative	0.0096	0.0168	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0163	0.9729
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0096	0.0168	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Plasmodium vivax	potassium channel, putative	0.0096	0.0168	1
Mycobacterium ulcerans	transmembrane cation transporter	0.0096	0.0168	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0163	0.5
Leishmania major	hypothetical protein, conserved	0.0096	0.0168	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0096	0.0168	0.5
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0096	0.0168	0.0168
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0096	0.0168	0.0168
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0096	0.0168	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0113	0.0229	0.2767
Loa Loa (eye worm)	hypothetical protein	0.0931	0.3192	0.3192
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0096	0.0168	1
Schistosoma mansoni	twik family of potassium channels-related	0.0096	0.0168	0.0005
Echinococcus multilocularis	twik family of potassium channels	0.0096	0.0168	0.0168
Echinococcus granulosus	potassium channel subfamily K	0.0096	0.0168	0.0168
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0125	0.0274	0.3317
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0096	0.0168	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Trypanosoma cruzi	calcium/potassium channel (CAKC), putative	0.0096	0.0168	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0096	0.0168	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0094	0.0163	0.9729
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Schistosoma mansoni	twik family of potassium channels-related	0.0096	0.0168	0.0005
Leishmania major	hypothetical protein, conserved	0.0096	0.0168	1
Schistosoma mansoni	twik family of potassium channels-related	0.0096	0.0168	0.0005
Plasmodium falciparum	potassium channel	0.0096	0.0168	1
Echinococcus multilocularis	potassium channel subfamily K	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0163	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0096	0.0168	1
Trypanosoma brucei	calcium/potassium channel (CAKC), putative	0.0096	0.0168	1
Echinococcus granulosus	potassium channel subfamily K 8	0.0096	0.0168	0.0168
Mycobacterium tuberculosis	Probable oxidoreductase	0.0125	0.0274	0.3317
Loa Loa (eye worm)	hypothetical protein	0.0094	0.0163	0.0163
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0096	0.0168	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0094	0.0163	0.5
Echinococcus multilocularis	potassium channel subfamily K 8	0.0096	0.0168	0.0168
Schistosoma mansoni	twik family of potassium channels-related	0.0096	0.0168	0.0005
Leishmania major	potassium channel subunit-like protein	0.0096	0.0168	1
Mycobacterium ulcerans	ion transport protein	0.0096	0.0168	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0125	0.0274	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0096	0.0168	1
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0096	0.0168	1
Onchocerca volvulus		0.0096	0.0168	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0096	0.0168	1
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0168	0.0168
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0125	0.0274	0.3317
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0096	0.0168	1
Echinococcus granulosus	twik family of potassium channels	0.0096	0.0168	0.0168
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0096	0.0168	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.5623 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
Potency (functional)	3.6626 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	30.1313 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference

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: CHEMBL1336058
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 833303