TDR Targets

Basic information

Technical information

TDR Targets ID: 1406292
Name: [2-[[2-chloro-5-(diethylsulfamoyl)phenyl]amin o]-2-oxoethyl] 4-hydroxybenzoate
MW: 440.898 | Formula: C19H21ClN2O6S
H donors: 2 H acceptors: 5 LogP: 2.83 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCN(S(=O)(=O)c1ccc(c(c1)NC(=O)COC(=O)c1ccc(cc1)O)Cl)CC
InChi: 1S/C19H21ClN2O6S/c1-3-22(4-2)29(26,27)15-9-10-16(20)17(11-15)21-18(24)12-28-19(25)13-5-7-14(23)8-6-13/h5-11,23H,3-4,12H2,1-2H3,(H,21,24)
InChiKey: XPXSZFCAKFNYGX-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-[[2-chloro-5-(diethylsulfamoyl)phenyl]amino]-2-oxo-ethyl] 4-hydroxybenzoate
4-hydroxybenzoic acid [2-[[2-chloro-5-(diethylsulfamoyl)phenyl]amino]-2-oxoethyl] ester
4-hydroxybenzoic acid [2-[[2-chloro-5-(diethylsulfamoyl)phenyl]amino]-2-keto-ethyl] ester
T0520-2546
MLS000774693
SMR000372461

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0071	0.3141	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3141	0.3141
Loa Loa (eye worm)	oxidoreductase	0.0071	0.3141	0.3141
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.012	0.7759	0.7759
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Echinococcus multilocularis	epidermal retinal dehydrogenase 2	0.0071	0.3141	0.9458
Plasmodium falciparum	conserved Plasmodium protein, unknown function	0.0071	0.3141	0.5
Echinococcus multilocularis	transient receptor potential cation channel	0.0071	0.3141	0.9458
Trypanosoma brucei	3-keto-dihydrosphingosine reductase	0.0071	0.3141	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0071	0.3141	0.7537
Echinococcus granulosus	carbonyl reductase 1	0.0071	0.3141	0.9458
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0071	0.3141	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0071	0.3141	0.7537
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.3321	1
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0071	0.3141	0.5
Onchocerca volvulus		0.0071	0.3141	0.5
Onchocerca volvulus		0.0071	0.3141	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0071	0.3141	0.7537
Entamoeba histolytica	hypothetical protein, conserved	0.0071	0.3141	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.3141	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 3, putative	0.0071	0.3141	0.5
Trypanosoma cruzi	3-ketoacyl-CoA reductase, putative	0.0071	0.3141	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.3141	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Echinococcus multilocularis	Dehydrogenase:reductase SDR family	0.0071	0.3141	0.9458
Mycobacterium leprae	PROBABLE SHORT CHAIN ALCOHOL DEHYDROGENASE/REDUCTASE	0.0071	0.3141	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0071	0.3141	0.9458
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0071	0.3141	0.5
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0071	0.3141	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.3321	0.7969
Trichomonas vaginalis	steroid dehydrogenase, putative	0.0071	0.3141	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Brugia malayi	latrophilin 2 splice variant baaae	0.0082	0.4168	0.4168
Giardia lamblia	Reductase, putative	0.0071	0.3141	0.5
Plasmodium vivax	steroid dehydrogenase, putative	0.0071	0.3141	0.5
Onchocerca volvulus		0.0071	0.3141	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Schistosoma mansoni	carbonyl reductase	0.0071	0.3141	0.7537
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0071	0.3141	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3141	0.3141
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3141	0.3141
Loa Loa (eye worm)	oxidoreductase	0.0071	0.3141	0.3141
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0071	0.3141	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.3321	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Entamoeba histolytica	hypothetical protein	0.0071	0.3141	0.5
Giardia lamblia	Hypothetical protein	0.0071	0.3141	0.5
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Onchocerca volvulus		0.0071	0.3141	0.5
Schistosoma mansoni	hypothetical protein	0.0082	0.4168	1
Echinococcus multilocularis	steroid dehydrogenase	0.0071	0.3141	0.9458
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Loa Loa (eye worm)	oxidoreductase	0.0071	0.3141	0.3141
Schistosoma mansoni	retinal dehydrogenase	0.0071	0.3141	0.7537
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.3141	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.3321	0.7969
Trichomonas vaginalis	estradiol 17 beta-dehydrogenase, putative	0.0071	0.3141	0.5
Onchocerca volvulus		0.0071	0.3141	0.5
Schistosoma mansoni	oxidoreductase short chain dehydrogenase/reductase family	0.0071	0.3141	0.7537
Echinococcus multilocularis	carbonyl reductase 1	0.0071	0.3141	0.9458
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.3141	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.012	0.7759	0.7759
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3141	0.3141
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0071	0.3141	0.5
Echinococcus granulosus	oxidoreductase	0.0071	0.3141	0.9458
Entamoeba histolytica	hypothetical protein, conserved	0.0071	0.3141	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Brugia malayi	dehydrogenases, short chain protein 2	0.0071	0.3141	0.3141
Schistosoma mansoni	steroid dehydrogenase	0.0071	0.3141	0.7537
Echinococcus granulosus	3 ketodihydrosphingosine reductase	0.0071	0.3141	0.9458
Echinococcus multilocularis	steroid dehydrogenase	0.0071	0.3141	0.9458
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3141	0.3141
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Echinococcus granulosus	steroid dehydrogenase	0.0071	0.3141	0.9458
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Trichomonas vaginalis	hydroxyacyl dehydrogenase, putative	0.0071	0.3141	0.5
Brugia malayi	D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor	0.0071	0.3141	0.3141
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Echinococcus multilocularis	retinol dehydrogenase 11	0.0071	0.3141	0.9458
Wolbachia endosymbiont of Brugia malayi	Short-chain alcohol dehydrogenase family enzyme	0.0071	0.3141	0.5
Giardia lamblia	Short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Schistosoma mansoni	3-keto-dihydrosphingosine reductase	0.0071	0.3141	0.7537
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0071	0.3141	0.3141
Echinococcus multilocularis	estradiol 17 beta dehydrogenase 12	0.0071	0.3141	0.9458
Echinococcus granulosus	retinol dehydrogenase 11	0.0071	0.3141	0.9458
Onchocerca volvulus		0.0071	0.3141	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Echinococcus multilocularis	retinol dehydrogenase 13	0.0071	0.3141	0.9458
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Loa Loa (eye worm)	oxidoreductase	0.0071	0.3141	0.3141
Brugia malayi	Retinol dehydrogenase 12	0.0071	0.3141	0.3141
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3141	0.3141
Schistosoma mansoni	steroid dehydrogenase	0.0071	0.3141	0.7537
Loa Loa (eye worm)	short chain dehydrogenase/reductase family oxidoreductase	0.0071	0.3141	0.3141
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0071	0.3141	0.5
Mycobacterium leprae	Probable oxidoreductase	0.0071	0.3141	0.5
Echinococcus multilocularis	carbonyl reductase 1	0.0071	0.3141	0.9458
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Schistosoma mansoni	carbonyl reductase	0.0071	0.3141	0.7537
Schistosoma mansoni	steroid dehydrogenase	0.0071	0.3141	0.7537
Loa Loa (eye worm)	oxidoreductase	0.0071	0.3141	0.3141
Brugia malayi	Dehydrogenases, short chain protein 30	0.0071	0.3141	0.3141
Echinococcus multilocularis	carbonyl reductase 1	0.0071	0.3141	0.9458
Entamoeba histolytica	short chain dehydrogenase family protein	0.0071	0.3141	0.5
Echinococcus granulosus	hypothetical protein	0.0071	0.3141	0.9458
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.3321	1
Echinococcus multilocularis	retinol dehydrogenase 11	0.0071	0.3141	0.9458
Schistosoma mansoni	steroid dehydrogenase	0.0071	0.3141	0.7537
Echinococcus multilocularis	conserved hypothetical protein	0.0071	0.3141	0.9458
Onchocerca volvulus		0.0071	0.3141	0.5
Trypanosoma cruzi	beta-ketoacyl-ACP reductase 2, putative	0.0071	0.3141	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Plasmodium falciparum	steroid dehydrogenase, putative	0.0071	0.3141	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.3321	1
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0071	0.3141	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0071	0.3141	0.5
Trypanosoma brucei	3-ketoacyl-CoA reductase, putative	0.0071	0.3141	0.5
Brugia malayi	Dehydrogenases, short chain protein 2	0.0071	0.3141	0.3141
Echinococcus granulosus	WW domain containing oxidoreductase	0.0071	0.3141	0.9458
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Mycobacterium leprae	ROBABLE SHORT-CHAIN TYPE DEHYDROGENASE/REDUCTASE	0.0071	0.3141	0.5
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Loa Loa (eye worm)	dehydrogenase	0.0071	0.3141	0.3141
Trichomonas vaginalis	short-chain dehydrogenases/reductase, putative	0.0071	0.3141	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.3141	0.5
Brugia malayi	hypothetical protein	0.0071	0.3141	0.3141
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.3321	1
Onchocerca volvulus		0.0071	0.3141	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3141	0.3141
Trypanosoma cruzi	short chain dehydrogenase, putative	0.0071	0.3141	0.5
Brugia malayi	Hypothetical oxidoreductase F56D1.5	0.0071	0.3141	0.3141
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Trypanosoma brucei	oxidoreductase-like protein	0.0071	0.3141	0.5
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0071	0.3141	0.9458
Echinococcus granulosus	Dehydrogenase:reductase SDR family	0.0071	0.3141	0.9458
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.3321	1
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3141	0.3141
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0071	0.3141	0.7537
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.012	0.7759	0.7759
Entamoeba histolytica	short chain dehydrogenase family protein	0.0071	0.3141	0.5
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0071	0.3141	0.5
Trypanosoma cruzi	quinonoid dihydropteridine reductase, putative	0.0071	0.3141	0.5
Trypanosoma brucei	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Echinococcus multilocularis	oxidoreductase	0.0071	0.3141	0.9458
Brugia malayi	dehydrogenases, short chain protein 9	0.0071	0.3141	0.3141
Echinococcus granulosus	carbonyl reductase 1	0.0071	0.3141	0.9458
Entamoeba histolytica	3-ketodihydrosphingosine reductase protein, putative	0.0071	0.3141	0.5
Loa Loa (eye worm)	hypothetical protein	0.0082	0.4168	0.4168
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Loa Loa (eye worm)	oxidoreductase	0.0071	0.3141	0.3141
Onchocerca volvulus		0.0071	0.3141	0.5
Trypanosoma brucei	beta-D-hydroxybutyrate dehydrogenase	0.0071	0.3141	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0071	0.3141	0.7537
Entamoeba histolytica	estradiol 17-beta-dehydrogenase, putative	0.0071	0.3141	0.5
Entamoeba histolytica	oxidoreductase, short chain dehydrogenase/reductase family	0.0071	0.3141	0.5
Schistosoma mansoni	carbonyl reductase	0.0071	0.3141	0.7537
Onchocerca volvulus		0.0071	0.3141	0.5
Echinococcus granulosus	epidermal retinal dehydrogenase 2	0.0071	0.3141	0.9458
Trypanosoma cruzi	3-keto-dihydrosphingosine reductase	0.0071	0.3141	0.5
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0071	0.3141	0.3141
Mycobacterium leprae	Probable short-chain type dehydrogenase/reductase	0.0071	0.3141	0.5
Giardia lamblia	Oxidoreductase, short chain dehydrogenase/reductase family	0.0071	0.3141	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3141	0.3141
Trypanosoma cruzi	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Loa Loa (eye worm)	dehydrogenase	0.0071	0.3141	0.3141
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Onchocerca volvulus		0.0071	0.3141	0.5
Onchocerca volvulus	Sepiapterin reductase homolog	0.0071	0.3141	0.5
Loa Loa (eye worm)	oxidoreductase	0.0071	0.3141	0.3141
Schistosoma mansoni	steroid dehydrogenase	0.0071	0.3141	0.7537
Schistosoma mansoni	short-chain dehydrogenase/reductase	0.0071	0.3141	0.7537
Trypanosoma cruzi	oxidoreductase-like protein, putative	0.0071	0.3141	0.5
Mycobacterium leprae	Possible short-chain dehydrogenase EphD	0.0071	0.3141	0.5
Loa Loa (eye worm)	oxidoreductase	0.0071	0.3141	0.3141
Onchocerca volvulus		0.0071	0.3141	0.5
Brugia malayi	oxidoreductase	0.0071	0.3141	0.3141
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.3141	0.5
Schistosoma mansoni	steroid dehydrogenase	0.0071	0.3141	0.7537
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Trypanosoma cruzi	short chain dehydrogenase/reductase, putative	0.0071	0.3141	0.5
Trichomonas vaginalis	short-chain dehydrogenase, putative	0.0071	0.3141	0.5
Trypanosoma cruzi	NAD(P)-dependent oxidoreductase, putative	0.0071	0.3141	0.5
Plasmodium falciparum	oxidoreductase, short-chain dehydrogenase family, putative	0.0071	0.3141	0.5
Trypanosoma brucei	beta-ketoacyl-ACP reductase 2	0.0071	0.3141	0.5
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.3321	1
Loa Loa (eye worm)	oxidoreductase	0.0071	0.3141	0.3141
Echinococcus granulosus	hypothetical protein	0.0071	0.3141	0.9458
Brugia malayi	hypothetical protein	0.0071	0.3141	0.3141
Echinococcus multilocularis	3 ketodihydrosphingosine reductase	0.0071	0.3141	0.9458
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0071	0.3141	0.9458
Loa Loa (eye worm)	hypothetical protein	0.012	0.7759	0.7759
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.3321	1
Schistosoma mansoni	short chain dehydrogenase	0.0071	0.3141	0.7537
Echinococcus multilocularis	carbonyl reductase 1	0.0071	0.3141	0.9458
Echinococcus granulosus	retinol dehydrogenase 11	0.0071	0.3141	0.9458
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 1 homolog	0.0071	0.3141	0.5
Onchocerca volvulus		0.0071	0.3141	0.5
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3141	0.3141
Onchocerca volvulus	Dehydrogenase\/reductase SDR family member 13 homolog	0.0071	0.3141	0.5
Echinococcus granulosus	carbonyl reductase 1	0.0071	0.3141	0.9458
Loa Loa (eye worm)	hypothetical protein	0.0071	0.3141	0.3141

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.3162 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.6535 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	5.0119 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	= 5.6234 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.8584 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)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	23.9341 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
Potency (functional)	= 28.1838 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)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ]	ChEMBL.	No reference
Potency (functional)	29.081 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)	= 31.6228 um	PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (binding)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	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.

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External resources for this compound

ChEMBL: CHEMBL1544444

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1406292