TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 449.928 | Formula: C22H28ClN3O5
H donors: 4 H acceptors: 5 LogP: 1.51 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C(=O)O.CCN(c1ccc(c(c1)C)NC(=O)CNCc1ccccc1Cl)CC
InChi: 1S/C20H26ClN3O.C2H2O4/c1-4-24(5-2)17-10-11-19(15(3)12-17)23-20(25)14-22-13-16-8-6-7-9-18(16)21;3-1(4)2(5)6/h6-12,22H,4-5,13-14H2,1-3H3,(H,23,25);(H,3,4)(H,5,6)
InChiKey: NKASELPELWMMON-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	growth factor, augmenter of liver regeneration	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4A	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	bromodomain adjacent to zinc finger domain, 2B	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Babesia bovis	human hepatopoietin-like protein, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Brugia malayi	Augmenter of liver regeneration	Get druggable targets OG5_127535	All targets in OG5_127535
Toxoplasma gondii	Erv1 / Alr family protein	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Plasmodium berghei	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma japonicum	JmjC domain-containing histone demethylation protein 3C, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Leishmania mexicana	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Leishmania braziliensis	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Echinococcus granulosus	Transcription factor JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Leishmania infantum	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Brugia malayi	jmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Theileria parva	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Toxoplasma gondii	Erv1 / Alr family protein	Get druggable targets OG5_127535	All targets in OG5_127535
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Leishmania donovani	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma brucei gambiense	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Brugia malayi	Bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma mansoni	bromodomain containing protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trypanosoma congolense	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	Get druggable targets OG5_127535	All targets in OG5_127535
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Neospora caninum	hypothetical protein	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma congolense	ERV/ALR sulfhydryl oxidase domain-containing protein	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma mansoni	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	Probable JmjC domain-containing histone demethylation protein 3B, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase	Get druggable targets OG5_127535	All targets in OG5_127535
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Leishmania major	hypothetical protein, conserved	Get druggable targets OG5_127535	All targets in OG5_127535
Candida albicans	similar to S. cerevisiae ERV2 (YPR037C) endoplasmic reticulum flavin-linked sulfhydryl oxidase	Get druggable targets OG5_127535	All targets in OG5_127535
Plasmodium knowlesi	FAD-linked sulfhydryl oxidase ERV1, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma japonicum	Conserved hypothetical protein	Get druggable targets OG5_131570	All targets in OG5_131570
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma japonicum	Cleft lip and palate transmembrane protein 1-like protein, putative	Get druggable targets OG5_131570	All targets in OG5_131570
Schistosoma japonicum	FAD-linked sulfhydryl oxidase ALR, putative	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma japonicum	ko:K01549 ATP synthase [EC3.6.3.14], putative	Get druggable targets OG5_131570	All targets in OG5_131570
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	Get druggable targets OG5_127535	All targets in OG5_127535
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	Get druggable targets OG5_127535	All targets in OG5_127535
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Loa Loa (eye worm)	jmjC domain-containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131570	All targets in OG5_131570
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Loa Loa (eye worm)	hepatopoietin HPO2	Get druggable targets OG5_127535	All targets in OG5_127535

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 %
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0117	0.0039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0117	0.0039
Echinococcus multilocularis	lysine specific demethylase 5A	0.0077	0.0753	0.0679
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0214	0.0136
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0624	0.0632
Trypanosoma cruzi	ISWI complex protein	0.0049	0.0382	0.426
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0179	0.2132	0.8837
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0027	0.0088	0.01
Schistosoma mansoni	jumonji domain containing protein	0.0165	0.1938	0.1962
Trypanosoma cruzi	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0041	0.0278	0.2756
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0624	0.0632
Onchocerca volvulus	Alhambra homolog	0.0063	0.0573	0.0393
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.0624	0.0596
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.2037	0.8429
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0077	0.0757	0.0766
Schistosoma mansoni	hypothetical protein	0.0063	0.0573	0.058
Plasmodium falciparum	glutathione reductase	0.0079	0.0778	1
Giardia lamblia	GTOR	0.0049	0.0383	0.0675
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0027	0.0088	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0117	0.0039
Schistosoma mansoni	cpg binding protein	0.0035	0.0187	0.019
Loa Loa (eye worm)	hypothetical protein	0.006	0.053	0.0487
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0672	0.8754	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0113	0.0035
Plasmodium vivax	SET domain protein, putative	0.0097	0.1026	1
Entamoeba histolytica	hypothetical protein	0.0073	0.0697	0.077
Brugia malayi	jmjC domain containing protein	0.0208	0.2512	0.2869
Plasmodium vivax	dihydrolipoyl dehydrogenase, mitochondrial, putative	0.0027	0.0088	0.0594
Loa Loa (eye worm)	hypothetical protein	0.0131	0.148	0.1586
Plasmodium falciparum	thioredoxin reductase	0.0079	0.0778	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0179	0.2132	0.8837
Brugia malayi	PHD-finger family protein	0.0063	0.0573	0.0655
Brugia malayi	Pre-SET motif family protein	0.0672	0.8754	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0085	0.0862	0.0872
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.0624	0.0548
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0165	0.0088
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0049	0.0383	0.428
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0208	0.2512	0.2475
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0199	0.2401	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0049	0.0383	0.428
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0194	0.2325	0.2284
Loa Loa (eye worm)	bromodomain containing protein	0.0057	0.0484	0.0434
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4462	0.4418
Echinococcus granulosus	tar DNA binding protein	0.0067	0.0624	0.0548
Trypanosoma brucei	ERV/ALR sulfhydryl oxidase domain-containing protein	0.0041	0.0278	0.3572
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0041	0.0278	0.2756
Brugia malayi	Bromodomain containing protein	0.0123	0.1374	0.157
Trypanosoma brucei	trypanothione reductase	0.0079	0.0778	1
Loa Loa (eye worm)	PHD-finger family protein	0.0063	0.0573	0.0537
Plasmodium vivax	glutathione reductase, putative	0.0079	0.0778	0.7517
Schistosoma mansoni	cpg binding protein	0.0043	0.0296	0.03
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0079	0.0001
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.4462	1
Brugia malayi	hypothetical protein	0.0073	0.0697	0.0796
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0152	0.1762	0.1783
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0027	0.0088	0.0855
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0248	0.0171
Schistosoma mansoni	zinc finger protein	0.0049	0.0382	0.0386
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0093	0.0968	0.0899
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0152	0.1762	0.1709
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0027	0.0088	0.1127
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0097	0.1026	0.1038
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1182	0.1241
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0055	0.0458	0.0463
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0179	0.2132	0.8837
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.4462	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0248	0.0171
Schistosoma mansoni	methyl-cpg binding protein mbd	0.0055	0.0458	0.0463
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0073	0.0697	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0573	0.0537
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0049	0.0383	0.428
Brugia malayi	Bromodomain containing protein	0.0243	0.2985	0.341
Echinococcus multilocularis	zinc finger protein	0.0065	0.0593	0.0516
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0085	0.0862	0.0872
Echinococcus granulosus	cpg binding protein	0.0043	0.0296	0.0213
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0199	0.2401	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0085	0.0862	0.0871
Toxoplasma gondii	Erv1 / Alr family protein	0.0041	0.0278	0.271
Mycobacterium tuberculosis	Probable dehydrogenase	0.0179	0.2132	0.8837
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0049	0.0383	0.0302
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0049	0.0383	0.4924
Loa Loa (eye worm)	hepatopoietin HPO2	0.0041	0.0278	0.0195
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0027	0.0088	0.5
Toxoplasma gondii	Erv1 / Alr family protein	0.0041	0.0278	0.271
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0274	0.0313
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.6355	0.64
Echinococcus granulosus	lysine specific demethylase 5A	0.0085	0.0862	0.079
Brugia malayi	jmjC domain containing protein	0.0085	0.0862	0.0984
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0049	0.0383	0.4924
Echinococcus multilocularis	tumor protein p63	0.0705	0.9196	0.9301
Trichomonas vaginalis	glutathione reductase, putative	0.0027	0.0088	0.001
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4462	0.4418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.0113	0.0035
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0063	0.0573	0.0496
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0248	0.0171
Echinococcus multilocularis	methyl CpG binding domain protein 2	0.0055	0.0458	0.0378
Brugia malayi	TAR-binding protein	0.0067	0.0624	0.0713
Loa Loa (eye worm)	hypothetical protein	0.0139	0.1589	0.1712
Brugia malayi	Pre-SET motif family protein	0.0097	0.1026	0.1172
Leishmania major	hypothetical protein, conserved	0.0041	0.0278	0.2756
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1377	0.1467
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0073	0.0697	0.0622
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0274	0.0191
Loa Loa (eye worm)	hypothetical protein	0.0227	0.2774	0.3083
Schistosoma mansoni	transcription factor LCR-F1	0.0073	0.0697	0.0705
Loa Loa (eye worm)	PHD-finger family protein	0.0066	0.0612	0.0582
Entamoeba histolytica	hypothetical protein	0.0073	0.0697	0.077
Schistosoma mansoni	bromodomain containing protein	0.0205	0.2479	0.2509
Brugia malayi	glutathione reductase	0.0079	0.0778	0.0889
Onchocerca volvulus		0.0097	0.1026	0.0854
Loa Loa (eye worm)	phosphatidylinositol 3	0.0049	0.0383	0.0317
Brugia malayi	Thioredoxin reductase	0.0079	0.0778	0.0889
Plasmodium vivax	hypothetical protein, conserved	0.0063	0.0573	0.5465
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0029	0.0106	0.0018
Plasmodium vivax	thioredoxin reductase, putative	0.0079	0.0778	0.7517
Schistosoma mansoni	hypothetical protein	0.0066	0.0612	0.0619
Echinococcus granulosus	histone lysine methyltransferase setb	0.0152	0.1762	0.1709
Mycobacterium tuberculosis	Probable reductase	0.0179	0.2132	0.8837
Echinococcus granulosus	peregrin	0.0071	0.0676	0.06
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.4462	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0039	0.0248	0.2327
Echinococcus granulosus	PHD finger protein rhinoceros	0.0063	0.0573	0.0496
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0214	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0103	0.1108	0.1156
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.053	0.0606
Plasmodium falciparum	dihydrolipoyl dehydrogenase, apicoplast	0.0027	0.0088	0.0791
Plasmodium falciparum	FAD-linked sulfhydryl oxidase ERV1, putative	0.0041	0.0278	0.3329
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0027	0.0088	0.1127
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0063	0.0573	0.058
Trypanosoma brucei	ISWI complex protein	0.0049	0.0382	0.4907
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0097	0.1026	0.1038
Loa Loa (eye worm)	thioredoxin reductase	0.0079	0.0778	0.0774
Loa Loa (eye worm)	glutathione reductase	0.0079	0.0778	0.0774
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0179	0.2132	0.8837
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4462	0.4418
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.6355	0.64
Brugia malayi	RNA binding protein	0.0067	0.0624	0.0713
Schistosoma mansoni	microtubule-associated protein tau	0.0756	0.9881	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0115	0.1272	0.121
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0248	0.0171
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0077	0.0754	0.7349
Echinococcus granulosus	zinc finger protein	0.0065	0.0593	0.0516
Plasmodium falciparum	dihydrolipoyl dehydrogenase, mitochondrial	0.0027	0.0088	0.0791
Giardia lamblia	PHD finger protein 15	0.0063	0.0573	0.1111
Echinococcus granulosus	microtubule associated protein 2	0.0756	0.9881	1
Schistosoma mansoni	cpg binding protein	0.0043	0.0296	0.03
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0074	0.0721	0.0647
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0624	0.0632
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0079	0.0001
Schistosoma mansoni	hypothetical protein	0.0073	0.0697	0.0705
Brugia malayi	F/Y-rich N-terminus family protein	0.0041	0.0272	0.0311
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0027	0.0088	0.0089
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0049	0.0383	0.0302
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4462	0.4418
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0187	0.0214
Plasmodium falciparum	phd finger protein, putative	0.0063	0.0573	0.727
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0187	0.0091
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.053	0.0606
Entamoeba histolytica	hypothetical protein	0.0073	0.0697	0.077
Plasmodium falciparum	glutathione reductase	0.0027	0.0088	0.0791
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.053	0.0487
Toxoplasma gondii	thioredoxin reductase	0.0079	0.0778	0.7586
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4462	0.4418
Echinococcus multilocularis	cpg binding protein	0.0043	0.0296	0.0213
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0097	0.1026	1
Echinococcus multilocularis	microtubule associated protein 2	0.0756	0.9881	1
Leishmania major	trypanothione reductase	0.0079	0.0778	1
Entamoeba histolytica	hypothetical protein	0.0073	0.0697	0.077
Trypanosoma cruzi	target of rapamycin kinase 3	0.0039	0.0248	0.2327
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0023	0.0034	0.0443
Mycobacterium tuberculosis	Probable oxidoreductase	0.0199	0.2401	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0208	0.2512	0.2475
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0049	0.0383	0.0307
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.2037	1
Plasmodium vivax	FAD-linked sulfhydryl oxidase ERV1, putative	0.0041	0.0278	0.2502
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0214	0.0136
Brugia malayi	Bromodomain containing protein	0.0071	0.0676	0.0772
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4462	0.4418
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0214	0.0136
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0033	0.0163	0.0165
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0214	0.0136
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0214	0.0136
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0027	0.0088	0.1127
Echinococcus granulosus	methyl CpG binding domain protein 2	0.0055	0.0458	0.0378
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0115	0.1272	0.121
Leishmania major	hypothetical protein, conserved	0.0049	0.0382	0.426
Brugia malayi	PHD-finger family protein	0.0029	0.0109	0.0125
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.4462	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0037	0.0214	0.0136
Brugia malayi	Augmenter of liver regeneration	0.0041	0.0278	0.0318
Echinococcus multilocularis	jumonji domain containing protein	0.0088	0.0907	0.0837
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0032	0.0151	0.0073
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0029	0.0106	0.0018
Schistosoma mansoni	hypothetical protein	0.0494	0.6355	0.6432
Schistosoma mansoni	zinc finger protein	0.0065	0.0593	0.06
Echinococcus granulosus	FAD linked sulfhydryl oxidase ALR	0.0041	0.0278	0.0194
Schistosoma mansoni	hypothetical protein	0.0049	0.0382	0.0386
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0097	0.1026	0.0958
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0152	0.1762	0.1783
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0074	0.0721	0.073
Echinococcus granulosus	jumonji domain containing protein	0.0088	0.0907	0.0837
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.0624	0.0713
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0194	0.2325	0.2284
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0079	0.0778	0.2985
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0624	0.0632
Echinococcus multilocularis	peregrin	0.0071	0.0676	0.06
Echinococcus multilocularis	thioredoxin glutathione reductase	0.008	0.0792	0.0719
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0027	0.0088	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0248	0.0171
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0049	0.0383	0.0307
Toxoplasma gondii	PHD-finger domain-containing protein	0.0063	0.0573	0.559
Brugia malayi	PHD-finger family protein	0.0082	0.0823	0.094
Onchocerca volvulus		0.0103	0.1108	0.0939
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0049	0.0383	0.0388
Trypanosoma cruzi	Present in the outer mitochondrial membrane proteome 4	0.0041	0.0278	0.2756
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4462	0.4418
Trichomonas vaginalis	mercuric reductase, putative	0.0027	0.0088	0.001
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0039	0.0248	0.3191
Echinococcus multilocularis	FAD linked sulfhydryl oxidase ALR	0.0041	0.0278	0.0194
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0049	0.0383	0.0438
Echinococcus granulosus	fetal alzheimer antigen falz	0.0074	0.0721	0.0647
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0199	0.2401	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0063	0.0573	0.559
Echinococcus granulosus	thioredoxin glutathione reductase	0.008	0.0792	0.0719
Trypanosoma cruzi	ISWI complex protein	0.0049	0.0382	0.426
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0179	0.2132	0.2599
Schistosoma mansoni	cellular tumor antigen P53	0.0103	0.1108	0.1122
Toxoplasma gondii	NADPH-glutathione reductase	0.0027	0.0088	0.0855
Schistosoma mansoni	hypothetical protein	0.0041	0.0274	0.0278
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0049	0.0383	0.0307
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1762	0.1912
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0027	0.0088	0.1127
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.0624	0.0632
Loa Loa (eye worm)	RNA binding protein	0.0067	0.0624	0.0596
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.4462	0.4418
Loa Loa (eye worm)	jmjC domain-containing protein	0.0131	0.1481	0.1587
Trypanosoma cruzi	trypanothione reductase, putative	0.0079	0.0778	1
Plasmodium falciparum	thioredoxin reductase	0.0027	0.0088	0.0791
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0079	0.0001
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0037	0.0214	0.2083
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.0624	0.0596
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0079	0.0001
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0049	0.0383	0.428
Echinococcus granulosus	tumor protein p63	0.0705	0.9196	0.9301
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0286	0.021
Plasmodium vivax	dihydrolipoyl dehydrogenase, apicoplast, putative	0.0027	0.0088	0.0594

Activities

Activity type	Activity value	Assay description	Source	Reference
AC50 (binding)	= 1.607 uM	PUBCHEM_BIOASSAY: HTS-Luminescent assay for inhibitors of ALR by detection of hydrogen peroxide production Measured in Biochemical System Using Plate Reader - 2036-02_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488787]	ChEMBL.	No reference
IC50 (functional)	20.89296131 uM	PUBCHEM_BIOASSAY: Dose responses of compounds that inhibit the Choline Transporter (CHT) - 5 point CRC. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488975, AID488997, AID493221, AID493222]	ChEMBL.	No reference
IC50 (functional)	30.98 uM	PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 4.4668 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)	5.2213 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)	10 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	10 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)]	ChEMBL.	No reference
Potency (functional)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	29.0929 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)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	31.6228 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1411837

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1295937