TDR Targets

Basic information

Technical information

TDR Targets ID: 1269136
Name: 1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl) piperidine-3-carboxamide
MW: 402.507 | Formula: C21H26N2O4S
H donors: 1 H acceptors: 3 LogP: 3.1 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)S(=O)(=O)N1CCCC(C1)C(=O)Nc1cccc(c1)C
InChi: 1S/C21H26N2O4S/c1-3-27-19-9-11-20(12-10-19)28(25,26)23-13-5-7-17(15-23)21(24)22-18-8-4-6-16(2)14-18/h4,6,8-12,14,17H,3,5,7,13,15H2,1-2H3,(H,22,24)
InChiKey: JVXFTVGSGMQADQ-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

1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)-3-piperidinecarboxamide
1-(4-ethoxyphenyl)sulfonyl-N-(3-methylphenyl)nipecotamide
ASN 07441759
STK216514
1-(4-Ethoxy-benzenesulfonyl)-piperidine-3-carboxylic acid m-tolylamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	carboxylesterase	0.0163	0.1255	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Entamoeba histolytica	hypothetical protein	0.0072	0.0324	0.5227
Schistosoma mansoni	hypothetical protein	0.0048	0.0076	0.0076
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0106	0.0677	0.0662
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0199	0.2477
Echinococcus granulosus	survival motor neuron protein 1	0.0234	0.1986	0.1974
Schistosoma mansoni	twik family of potassium channels-related	0.0044	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0688	0.0673
Loa Loa (eye worm)	hypothetical protein	0.0406	0.3751	0.3742
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0107	0.0688	0.5338
Schistosoma mansoni	twik family of potassium channels-related	0.0044	0.0038	0.0038
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0163	0.1255	0.1849
Schistosoma mansoni	calcium-activated potassium channel	0.0859	0.8392	0.8392
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0107	0.0688	0.0673
Brugia malayi	Carboxylesterase family protein	0.0163	0.1255	0.1313
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0072	0.0324	0.0309
Mycobacterium ulcerans	esterase/lipase LipP	0.0107	0.0688	0.5338
Onchocerca volvulus		0.0163	0.1255	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0163	0.1255	0.1255
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 35	0.0044	0.0038	0.0024
Schistosoma mansoni	calcium-activated potassium channel	0.1016	1	1
Echinococcus multilocularis	acetylcholinesterase	0.0964	0.9463	0.9462
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 12	0.0044	0.0038	0.0024
Echinococcus granulosus	acetylcholinesterase	0.0964	0.9463	0.9462
Mycobacterium tuberculosis	Probable esterase LipL	0.0107	0.0688	0.0987
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0107	0.0682	0.0706
Schistosoma mansoni	twik family of potassium channels-related	0.0044	0.0038	0.0038
Entamoeba histolytica	hypothetical protein	0.0072	0.0324	0.5227
Trichomonas vaginalis	esterase, putative	0.0107	0.0688	0.5423
Loa Loa (eye worm)	hypothetical protein	0.0097	0.0586	0.0571
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0044	0.0038	0.0182
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0099	0.0598	0.0584
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0044	0.0038	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Loa Loa (eye worm)	uncoordinated protein 58	0.0044	0.0038	0.0023
Echinococcus granulosus	TWiK family of potassium channels protein 7	0.0044	0.0038	0.0023
Onchocerca volvulus		0.0163	0.1255	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0163	0.1255	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Echinococcus multilocularis	expressed conserved protein	0.0092	0.0525	0.051
Echinococcus granulosus	neuroligin	0.0163	0.1255	0.1242
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0099	0.0598	0.0617
Schistosoma mansoni	hypothetical protein	0.0171	0.1341	0.1341
Loa Loa (eye worm)	carboxylesterase	0.0163	0.1255	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Brugia malayi	Niemann-Pick C1 protein precursor	0.0097	0.0586	0.0604
Loa Loa (eye worm)	hypothetical protein	0.0106	0.0677	0.0662
Brugia malayi	Carboxylesterase family protein	0.0163	0.1255	0.1313
Loa Loa (eye worm)	hypothetical protein	0.0234	0.1986	0.1974
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Schistosoma mansoni	hypothetical protein	0.0171	0.1341	0.1341
Echinococcus multilocularis	muscleblind protein 1	0.0148	0.1102	0.1089
Loa Loa (eye worm)	carboxylesterase	0.0964	0.9463	0.9462
Entamoeba histolytica	hypothetical protein	0.0072	0.0324	0.5227
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Schistosoma mansoni	twik family of potassium channels-related	0.0044	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0822	0.0808
Loa Loa (eye worm)	S-phase kinase-associated protein 1A	0.0044	0.0038	0.0023
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0199	0.1322
Brugia malayi	hypothetical protein	0.0121	0.0822	0.0854
Echinococcus multilocularis	twik family of potassium channels	0.0044	0.0038	0.0023
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0107	0.0688	0.0987
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0072	0.0324	0.0309
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0044	0.0038	0.0182
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0107	0.0688	0.0712
Loa Loa (eye worm)	beta-lactamase	0.0107	0.0688	0.0673
Giardia lamblia	Hypothetical protein	0.0044	0.0038	0.5
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0044	0.0038	0.0024
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog	0.0044	0.0038	0.0024
Echinococcus multilocularis	twik family of potassium channels	0.0044	0.0038	0.0023
Echinococcus multilocularis	Two pore potassium channel protein sup 9	0.0044	0.0038	0.0023
Entamoeba histolytica	hypothetical protein	0.0072	0.0324	0.5227
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0163	0.1255	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0688	0.0673
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0199	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Brugia malayi	MH2 domain containing protein	0.0118	0.0798	0.0828
Echinococcus multilocularis	Niemann Pick C1 protein	0.0097	0.0586	0.0571
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 13	0.0044	0.0038	0.0024
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.0798	0.0784
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1255	0.1242
Onchocerca volvulus	Huntingtin homolog	0.0121	0.0822	0.644
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Echinococcus granulosus	beta LACTamase domain containing family member	0.0107	0.0688	0.0673
Brugia malayi	Twik (KCNK-like) family of potasium channels, alpha subunit 40	0.0044	0.0038	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0688	0.0673
Echinococcus multilocularis	neuroligin	0.0163	0.1255	0.1242
Mycobacterium tuberculosis	Conserved protein	0.0107	0.0688	0.0987
Echinococcus multilocularis	muscleblind protein	0.0148	0.1102	0.1089
Onchocerca volvulus	Huntingtin homolog	0.0121	0.0822	0.644
Brugia malayi	hypothetical protein	0.0234	0.1986	0.2086
Plasmodium vivax	hypothetical protein, conserved	0.0107	0.0688	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0163	0.1255	0.1255
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0964	0.9463	0.9463
Schistosoma mansoni	gliotactin	0.0163	0.1255	0.1255
Echinococcus multilocularis	transcription factor eb	0.0107	0.0682	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Echinococcus granulosus	muscleblind protein	0.0148	0.1102	0.1089
Echinococcus multilocularis	Niemann Pick C1 protein	0.0139	0.1014	0.1001
Echinococcus multilocularis	geminin	0.0171	0.1341	0.1328
Schistosoma mansoni	hypothetical protein	0.0072	0.0324	0.0324
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0199	0.0244
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0199	0.2477
Brugia malayi	hypothetical protein	0.0072	0.0324	0.0327
Toxoplasma gondii	ABC1 family protein	0.0107	0.0688	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0107	0.0688	0.0673
Brugia malayi	Carboxylesterase family protein	0.0163	0.1255	0.1313
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0107	0.0688	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1255	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0099	0.0598	0.0584
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0199	0.1322
Brugia malayi	Carboxylesterase family protein	0.0964	0.9463	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0099	0.0598	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Schistosoma mansoni	calcium-activated potassium channel	0.0044	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0044	0.0038	0.0182
Trypanosoma brucei	hypothetical protein, conserved	0.0107	0.0688	1
Echinococcus multilocularis	protein dispatched 1	0.0048	0.0076	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0822	0.0808
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.9621	0.962
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Brugia malayi	latrophilin 2 splice variant baaae	0.0067	0.0278	0.0278
Schistosoma mansoni	hypothetical protein	0.0067	0.0278	0.0278
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 5	0.0044	0.0038	0.0024
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0163	0.1255	0.1255
Echinococcus granulosus	transcription factor eb	0.0107	0.0682	0.0668
Echinococcus granulosus	geminin	0.0171	0.1341	0.1328
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0044	0.0038	0.0182
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 45	0.0044	0.0038	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0113	0.0743	0.0729
Brugia malayi	Carboxylesterase family protein	0.0964	0.9463	1
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1255	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Mycobacterium tuberculosis	Probable lipase LipE	0.0107	0.0688	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Echinococcus granulosus	twik family of potassium channels	0.0044	0.0038	0.0023
Loa Loa (eye worm)	TWK-7 protein	0.0044	0.0038	0.0023
Echinococcus granulosus	twik family of potassium channels	0.0044	0.0038	0.0023
Mycobacterium tuberculosis	Conserved protein	0.0107	0.0688	0.0987
Plasmodium falciparum	potassium channel	0.0044	0.0038	0.5
Brugia malayi	beta-lactamase family protein	0.0107	0.0688	0.0712
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39B	0.0044	0.0038	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Echinococcus granulosus	calcium activated potassium channel variant	0.0044	0.0038	0.0023
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0097	0.0586	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0234	0.1986	0.1974
Mycobacterium leprae	conserved hypothetical protein	0.0107	0.0688	0.5
Echinococcus granulosus	Two pore potassium channel protein sup 9	0.0044	0.0038	0.0023
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0107	0.0688	0.0987
Trypanosoma cruzi	hypothetical protein, conserved	0.0107	0.0688	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Schistosoma mansoni	twik family of potassium channels-related	0.0044	0.0038	0.0038
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0163	0.1255	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Onchocerca volvulus		0.0107	0.0688	0.5338
Echinococcus multilocularis	calcium activated potassium channel variant	0.0044	0.0038	0.0023
Brugia malayi	beta-lactamase family protein	0.0107	0.0688	0.0712
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1102	0.1089
Echinococcus granulosus	potassium channel subfamily K 8	0.0044	0.0038	0.0023
Schistosoma mansoni	transcription factor LCR-F1	0.0072	0.0324	0.0324
Schistosoma mansoni	hypothetical protein	0.1016	1	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0163	0.1255	0.1242
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0107	0.0688	0.0688
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0687	0.6622	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0688	0.0673
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0163	0.1255	0.1242
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 21	0.0044	0.0038	0.0024
Mycobacterium ulcerans	carboxylesterase, LipT	0.0163	0.1255	1
Schistosoma mansoni	calcium-activated potassium channel	0.0044	0.0038	0.0038
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 24	0.0044	0.0038	0.0024
Echinococcus multilocularis	potassium channel subfamily K 8	0.0044	0.0038	0.0023
Echinococcus multilocularis	TWiK family of potassium channels protein 7	0.0044	0.0038	0.0023
Mycobacterium leprae	Probable lipase LipE	0.0107	0.0688	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0199	0.0199
Echinococcus granulosus	Niemann Pick C1 protein	0.0139	0.1014	0.1001
Echinococcus multilocularis	carboxylesterase 5A	0.0964	0.9463	0.9462
Echinococcus granulosus	carboxylesterase 5A	0.0964	0.9463	0.9462
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.0798	0.0784
Trichomonas vaginalis	D-aminoacylase, putative	0.0107	0.0688	0.5423
Loa Loa (eye worm)	large conductance calcium-activated potassium channel alpha subunit ai	0.0044	0.0038	0.0023
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0076	0.0076
Mycobacterium tuberculosis	Conserved protein	0.0107	0.0688	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Echinococcus multilocularis	potassium channel subfamily K	0.0044	0.0038	0.0023
Schistosoma mansoni	hypothetical protein	0.0044	0.0038	0.0038
Onchocerca volvulus		0.0163	0.1255	1
Loa Loa (eye worm)	hypothetical protein	0.0453	0.4227	0.4218
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0199	0.1322
Trichomonas vaginalis	penicillin-binding protein, putative	0.0107	0.0688	0.5423
Echinococcus granulosus	expressed conserved protein	0.0092	0.0525	0.051
Echinococcus granulosus	potassium channel subfamily K 8	0.0044	0.0038	0.0023
Schistosoma mansoni	twik family of potassium channels-related	0.0044	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Loa Loa (eye worm)	TWK-28 protein	0.0044	0.0038	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1102	0.1089
Onchocerca volvulus		0.0163	0.1255	1
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1255	0.1242
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0099	0.0601	0.0601
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 7	0.0044	0.0038	0.0024
Onchocerca volvulus		0.0048	0.0076	0.0313
Mycobacterium ulcerans	lipase LipD	0.0107	0.0688	0.5338
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0112	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0199	0.0184
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0163	0.1255	0.1849
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0278	0.0263
Mycobacterium tuberculosis	Probable lipase LipD	0.0107	0.0688	0.0987
Brugia malayi	beta-lactamase	0.0107	0.0688	0.0712
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0688	0.0673
Mycobacterium tuberculosis	Probable hydrolase	0.0107	0.0688	0.0987
Loa Loa (eye worm)	hypothetical protein	0.0964	0.9463	0.9462
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0688	0.0673
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Trichomonas vaginalis	spcc417.12 protein, putative	0.0163	0.1255	1
Mycobacterium ulcerans	beta-lactamase	0.0107	0.0688	0.5338
Loa Loa (eye worm)	acetylcholinesterase 1	0.0964	0.9463	0.9462
Leishmania major	hypothetical protein, conserved	0.0107	0.0688	1
Echinococcus multilocularis	potassium channel subfamily K 8	0.0044	0.0038	0.0023
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0163	0.1255	0.1242
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0163	0.1255	0.1849
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0044	0.0038	0.0182
Loa Loa (eye worm)	hypothetical protein	0.0964	0.9463	0.9462
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog	0.0044	0.0038	0.0024
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0199	0.0184
Plasmodium falciparum	potassium channel	0.0044	0.0038	0.5
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0076	0.0064
Echinococcus multilocularis	acetylcholinesterase	0.0964	0.9463	0.9462
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 17	0.0044	0.0038	0.0024
Trichomonas vaginalis	D-aminoacylase, putative	0.0107	0.0688	0.5423
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Brugia malayi	Muscleblind-like protein	0.0148	0.1102	0.1151
Loa Loa (eye worm)	hypothetical protein	0.1016	1	1
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1255	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1255	0.1242
Schistosoma mansoni	patched 1	0.0042	0.0015	0.0015
Brugia malayi	hypothetical protein	0.0163	0.1255	0.1313
Schistosoma mansoni	twik family of potassium channels-related	0.0044	0.0038	0.0038
Onchocerca volvulus		0.0107	0.0688	0.5338
Echinococcus granulosus	potassium channel subfamily K	0.0044	0.0038	0.0023
Brugia malayi	Carboxylesterase family protein	0.0163	0.1255	0.1313
Loa Loa (eye worm)	hypothetical protein	0.0163	0.1255	0.1242
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0163	0.1255	0.1255
Echinococcus granulosus	acetylcholinesterase	0.0964	0.9463	0.9462
Trypanosoma cruzi	hypothetical protein, conserved	0.0107	0.0688	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0107	0.0688	0.5423
Echinococcus granulosus	Niemann Pick C1 protein	0.0097	0.0586	0.0571
Onchocerca volvulus		0.0107	0.0688	0.5338
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0107	0.0688	0.0688
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0163	0.1255	0.1255
Echinococcus multilocularis	small conductance calcium activated potassium	0.1016	1	1
Schistosoma mansoni	twik family of potassium channels-related	0.0044	0.0038	0.0038
Loa Loa (eye worm)	potassium voltage-gated channel subfamily Q member 5	0.0044	0.0038	0.0023
Onchocerca volvulus		0.0163	0.1255	1
Echinococcus granulosus	BC026374 protein S09 family	0.0163	0.1255	0.1242
Schistosoma mansoni	acetylcholinesterase	0.0163	0.1255	0.1255
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0038	0.0023
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 39A	0.0044	0.0038	0.0024
Brugia malayi	hypothetical protein	0.0044	0.0038	0.0024
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 28	0.0044	0.0038	0.0024
Trichomonas vaginalis	D-aminoacylase, putative	0.0107	0.0688	0.5423
Brugia malayi	hypothetical protein	0.0044	0.0038	0.0024
Mycobacterium ulcerans	hypothetical protein	0.0107	0.0688	0.5338

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.3162 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.285 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)	16.3535 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 50.1187 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	100 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	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: CHEMBL1380470

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1269136