TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 368.769 | Formula: C16H17ClN2O6
H donors: 1 H acceptors: 5 LogP: 3.64 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O[Cl](=O)(=O)=O.COc1ccc(cc1)C(=O)C1CN=c2n(C1)cccc2
InChi: 1S/C16H16N2O2.ClHO4/c1-20-14-7-5-12(6-8-14)16(19)13-10-17-15-4-2-3-9-18(15)11-13;2-1(3,4)5/h2-9,13H,10-11H2,1H3;(H,2,3,4,5)
InChiKey: NHQJWOAWPQUCFT-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	jmjC domain containing protein	0.0073	0.0425	0.0486
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0099	0.0028
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0425	0.0486
Brugia malayi	Pre-SET motif family protein	0.0128	0.0993	0.1135
Brugia malayi	jmjC domain containing protein	0.0073	0.0425	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0109	0.0125
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0039	0.0081	0.001
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0616	0.5958	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0071	0.0082
Onchocerca volvulus		0.0068	0.0383	0.0383
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0545	0.5228	0.5975
Brugia malayi	hypothetical protein	0.0068	0.0383	0.0438
Echinococcus granulosus	neutral alpha glucosidase AB	0.0039	0.0081	0.0091
Echinococcus granulosus	jumonji domain containing 1A	0.0073	0.0425	0.059
Brugia malayi	jmjC domain containing protein	0.0274	0.2473	0.2827
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0616	0.5958	0.5929
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0071	0.0082
Schistosoma mansoni	phosphatidylserine receptor	0.0073	0.0425	0.0614
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0067	0.0371	0.0424
Loa Loa (eye worm)	hypothetical protein	0.0085	0.055	0.0628
Plasmodium vivax	hypothetical protein, conserved	0.0122	0.0924	0.9251
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0087	0.0574	0.0805
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0891	0.8749	1
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0073	0.0425	0.0614
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0087	0.0574	0.0805
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0039	0.0081	0.001
Onchocerca volvulus	Huntingtin homolog	0.0131	0.1022	0.1022
Brugia malayi	chromobox protein homolog 3	0.0041	0.0099	0.0114
Brugia malayi	Latrophilin receptor protein 2	0.0067	0.0371	0.0424
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0128	0.0993	0.1434
Trichomonas vaginalis	glucosylceramidase, putative	0.0357	0.3323	0.3274
Schistosoma mansoni	hypothetical protein	0.0067	0.0371	0.0535
Echinococcus multilocularis	lysine specific demethylase 5A	0.0272	0.2456	0.3531
Brugia malayi	AF-10 protein	0.004	0.0091	0.0104
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0081	0.0271
Echinococcus multilocularis	jumonji domain containing 1A	0.0073	0.0425	0.059
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0039	0.0081	0.0016
Schistosoma mansoni	hypothetical protein	0.004	0.0091	0.0132
Toxoplasma gondii	PHD-finger domain-containing protein	0.0122	0.0924	0.9251
Schistosoma mansoni	hypothetical protein	0.0067	0.0371	0.0535
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0122	0.0933	0.1325
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0039	0.0081	0.0093
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.004	0.0091	0.0559
Plasmodium vivax	SET domain protein, putative	0.0128	0.0993	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0523	0.5009	0.7229
Trichomonas vaginalis	glucosylceramidase, putative	0.0357	0.3323	0.3274
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0071	0.0078
Onchocerca volvulus	Glucosylceramidase homolog	0.0357	0.3323	0.3323
Onchocerca volvulus		0.0032	0.001	0.001
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0274	0.2473	0.3573
Echinococcus multilocularis	peregrin	0.0122	0.0924	0.1312
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0039	0.0081	0.0091
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0616	0.5958	0.5929
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0067	0.0371	0.0511
Toxoplasma gondii	WD domain, G-beta repeat-containing protein	0.004	0.0091	0.0215
Echinococcus multilocularis	survival motor neuron protein 1	0.0249	0.2223	0.3194
Echinococcus multilocularis	aminopeptidase N	0.0038	0.0071	0.0078
Onchocerca volvulus		0.0101	0.0714	0.0714
Trichomonas vaginalis	glucosylceramidase, putative	0.0357	0.3323	0.3274
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1022	0.1168
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0175	0.1463	0.1672
Echinococcus multilocularis	lysine specific demethylase 6a	0.0073	0.0425	0.059
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0073	0.0425	0.4152
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0301	0.275	0.5
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0212	0.1848	0.2112
Brugia malayi	Bromodomain containing protein	0.0122	0.0924	0.1056
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0616	0.5958	1
Schistosoma mansoni	hypothetical protein	0.0145	0.1164	0.1682
Schistosoma mansoni	hypothetical protein	0.0531	0.5086	0.7347
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0071	0.0078
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1022	0.1168
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0128	0.0993	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0993	0.1135
Schistosoma mansoni	jun-related protein	0.0071	0.0408	0.0589
Brugia malayi	hypothetical protein	0.0038	0.0071	0.0082
Echinococcus granulosus	aminopeptidase N	0.0038	0.0071	0.0078
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.0423	0.0354
Echinococcus multilocularis	JmjC domain containing protein 4	0.0073	0.0425	0.059
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0063	0.0328	0.2782
Loa Loa (eye worm)	cytochrome P450 family protein	0.0051	0.0202	0.0231
Schistosoma mansoni	alpha glucosidase	0.0039	0.0081	0.0117
Trichomonas vaginalis	glucosylceramidase, putative	0.0357	0.3323	0.3274
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0071	0.0078
Echinococcus granulosus	survival motor neuron protein 1	0.0249	0.2223	0.3194
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0425	0.0486
Loa Loa (eye worm)	jmjC domain-containing protein	0.0251	0.224	0.2561
Trichomonas vaginalis	set domain proteins, putative	0.1014	1	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0523	0.5009	0.7229
Echinococcus granulosus	leukotriene A 4 hydrolase	0.0711	0.6922	1
Echinococcus multilocularis	jumonji domain containing protein	0.0169	0.1408	0.2013
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0425	0.0486
Schistosoma mansoni	alpha-glucosidase	0.015	0.1215	0.1756
Echinococcus granulosus	lysosomal alpha glucosidase	0.0175	0.1463	0.2092
Giardia lamblia	Fructose-bisphosphate aldolase	0.0616	0.5958	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0122	0.0924	0.1312
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0301	0.275	1
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0074	0.0443	0.0616
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0616	0.5958	0.5929
Echinococcus multilocularis	geminin	0.0531	0.5086	0.734
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.0711	0.6922	0.7912
Loa Loa (eye worm)	hypothetical protein	0.0122	0.0924	0.1056
Trichomonas vaginalis	glucosylceramidase, putative	0.0545	0.5228	0.5193
Echinococcus granulosus	phd:f box containing protein	0.0073	0.0425	0.059
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0616	0.5958	0.5929
Schistosoma mansoni	chromobox protein	0.0072	0.0423	0.061
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0545	0.5228	0.5975
Brugia malayi	Pre-SET motif family protein	0.0891	0.8749	1
Schistosoma mansoni	hypothetical protein	0.0122	0.0924	0.1334
Echinococcus granulosus	chromobox protein 1	0.0072	0.0423	0.0586
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0099	0.0028
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0039	0.0081	0.001
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0122	0.0933	0.1325
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0073	0.0425	1
Schistosoma mansoni	hypothetical protein	0.0067	0.0371	0.0535
Schistosoma mansoni	alpha-glucosidase	0.015	0.1215	0.1756
Treponema pallidum	fructose-bisphosphate aldolase	0.0616	0.5958	0.5
Schistosoma mansoni	chromobox protein	0.0072	0.0423	0.061
Echinococcus multilocularis	chromobox protein 1	0.0072	0.0423	0.0586
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0071	0.0078
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0131	0.006
Trypanosoma cruzi	JmjC domain, hydroxylase, putative	0.0073	0.0425	1
Onchocerca volvulus		0.0038	0.0071	0.0071
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.0131	0.006
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0123	0.0938	0.1333
Trichomonas vaginalis	glucosylceramidase, putative	0.0377	0.3518	0.3472
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0051	0.0204	0.0234
Echinococcus granulosus	JmjC domain containing protein 4	0.0073	0.0425	0.059
Onchocerca volvulus		0.014	0.1113	0.1113
Onchocerca volvulus	Alhambra homolog	0.0122	0.0924	0.0924
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0071	0.0078
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0038	0.0071	0.0103
Leishmania major	alpha glucosidase II subunit, putative	0.0039	0.0081	0.0271
Plasmodium falciparum	phd finger protein, putative	0.0122	0.0924	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0204	0.0295
Onchocerca volvulus		0.0038	0.0071	0.0071
Brugia malayi	jmjC domain containing protein	0.0073	0.0425	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0249	0.2223	0.2541
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0128	0.0993	0.1434
Brugia malayi	hypothetical protein	0.0038	0.0071	0.0082
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0081	0.0271
Trichomonas vaginalis	glucosylceramidase, putative	0.0545	0.5228	0.5193
Brugia malayi	Cytochrome P450 family protein	0.0051	0.0202	0.0231
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0067	0.0371	0.0511
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0038	0.0071	0.0103
Brugia malayi	PHD-finger family protein	0.0041	0.0109	0.0125
Plasmodium falciparum	conserved Plasmodium membrane protein, unknown function	0.0042	0.011	0.0456
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.014	0.1113	0.1608
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0175	0.1463	0.2092
Trypanosoma brucei	PHD-zinc-finger like domain containing protein, putative	0.004	0.0091	0.0559
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0039	0.0081	0.0093
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.0131	0.0131
Brugia malayi	hypothetical protein	0.0131	0.1022	0.1168
Loa Loa (eye worm)	hypothetical protein	0.0242	0.2146	0.2453
Echinococcus granulosus	jumonji domain containing protein	0.0169	0.1408	0.2013
Trichomonas vaginalis	glucosylceramidase, putative	0.0545	0.5228	0.5193
Schistosoma mansoni	hypothetical protein	0.0438	0.4144	0.5987
Brugia malayi	Peptidase family M1 containing protein	0.0038	0.0071	0.0082
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.007	0.0399	0.0576
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0274	0.2473	0.3573
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.0711	0.6922	1
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0038	0.0071	0.0078
Trichomonas vaginalis	chromobox protein, putative	0.0072	0.0423	0.0354
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0073	0.0425	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0175	0.1463	0.2092
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0099	0.0114
Echinococcus multilocularis	GPCR, family 2	0.0067	0.0371	0.0511
Schistosoma mansoni	hypothetical protein	0.0067	0.0371	0.0535
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0074	0.0443	0.0616
Loa Loa (eye worm)	hypothetical protein	0.0032	0.001	0.0012
Trichomonas vaginalis	glucosylceramidase, putative	0.0357	0.3323	0.3274
Onchocerca volvulus		0.0051	0.0204	0.0204
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0081	0.001
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0128	0.0993	0.1412
Echinococcus multilocularis	jun protein	0.0087	0.0574	0.0805
Trypanosoma brucei	glucosidase, putative	0.0039	0.0081	0.0271
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0038	0.0071	0.0082
Toxoplasma gondii	PHD-finger domain-containing protein	0.0122	0.0924	0.9251
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0039	0.0081	0.0016
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0073	0.0425	0.3841
Loa Loa (eye worm)	hypothetical protein	0.0212	0.1848	0.2112
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0071	0.0078
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0616	0.5958	0.5929
Echinococcus granulosus	peregrin	0.0122	0.0924	0.1312
Schistosoma mansoni	cpg binding protein	0.0033	0.0018	0.0026
Echinococcus granulosus	geminin	0.0531	0.5086	0.734
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0212	0.1848	0.2112
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0081	0.001
Onchocerca volvulus	Huntingtin homolog	0.0131	0.1022	0.1022
Schistosoma mansoni	jumonji domain containing protein	0.0441	0.4176	0.6033
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0071	0.0078
Brugia malayi	F/Y-rich N-terminus family protein	0.0054	0.0235	0.0268
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0067	0.0371	0.0511
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0616	0.5958	1
Loa Loa (eye worm)	PHD-finger family protein	0.0122	0.0924	0.1056
Brugia malayi	Heterochromatin protein 1	0.0072	0.0423	0.0483
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0067	0.0371	0.0424
Trichomonas vaginalis	glucosylceramidase, putative	0.0357	0.3323	0.3274
Echinococcus granulosus	lysine specific demethylase 6a	0.0073	0.0425	0.059
Schistosoma mansoni	survival motor neuron protein	0.0051	0.0204	0.0295
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0067	0.0371	0.0511
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0071	0.0078
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0425	0.0486
Loa Loa (eye worm)	jmjC domain-containing protein	0.0274	0.2473	0.2827
Loa Loa (eye worm)	aminopeptidase N	0.0038	0.0071	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0067	0.0371	0.0424
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0212	0.1848	0.2112
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0099	0.0099
Loa Loa (eye worm)	heterochromatin protein 1	0.0072	0.0423	0.0483
Schistosoma mansoni	cpg binding protein	0.0033	0.0018	0.0026
Brugia malayi	Peptidase family M1 containing protein	0.0038	0.0071	0.0082
Trichomonas vaginalis	glucosylceramidase, putative	0.0377	0.3518	0.3472
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0039	0.0081	0.001
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0071	0.0082
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0081	0.001
Echinococcus granulosus	chromobox protein 1	0.0072	0.0423	0.0586
Brugia malayi	Peptidase family M1 containing protein	0.0038	0.0071	0.0082
Trichomonas vaginalis	glucosylceramidase, putative	0.0357	0.3323	0.3274
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0175	0.1463	0.1672
Echinococcus multilocularis	dnaJ subfamily B	0.0438	0.4144	0.5977
Echinococcus multilocularis	chromobox protein 1	0.0072	0.0423	0.0586
Brugia malayi	PHD-finger family protein	0.0122	0.0924	0.1056
Brugia malayi	TATA binding protein associated factor	0.0038	0.0071	0.0082
Echinococcus granulosus	jun protein	0.0087	0.0574	0.0805
Brugia malayi	bZIP transcription factor family protein	0.0087	0.0574	0.0656
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0038	0.0071	0.0103
Echinococcus multilocularis	phd:f box containing protein	0.0073	0.0425	0.059
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0616	0.5958	0.5929
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.0425	0.0486
Echinococcus granulosus	dnaJ subfamily B	0.0438	0.4144	0.5977
Brugia malayi	hypothetical protein	0.0249	0.2223	0.2541
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.0711	0.6922	1
Schistosoma mansoni	lipoxygenase	0.0122	0.0933	0.1347
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0122	0.0924	0.1312
Brugia malayi	latrophilin 2 splice variant baaae	0.0145	0.1164	0.133
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0073	0.0425	0.3841
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0616	0.5958	0.5929
Brugia malayi	jmjC domain containing protein	0.0523	0.5009	0.5725
Schistosoma mansoni	hypothetical protein	0.0071	0.0408	0.0589
Brugia malayi	hypothetical protein	0.0327	0.3013	0.3444
Schistosoma mansoni	lipoxygenase	0.0086	0.0558	0.0806
Echinococcus granulosus	lysine specific demethylase 5A	0.0274	0.2473	0.3556
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0301	0.275	0.5
Schistosoma mansoni	phd/f-box containing protein	0.0073	0.0425	0.0614
Schistosoma mansoni	protein phosphatase 2C	0.0073	0.0425	0.0614
Echinococcus granulosus	GPCR family 2	0.0067	0.0371	0.0511
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0038	0.0071	0.0103
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0128	0.0993	0.1434
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0071	0.0078
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0081	0.001
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0122	0.0924	0.1334
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0038	0.0071	0.0078
Trichomonas vaginalis	alpha-glucosidase, putative	0.0039	0.0081	0.001
Plasmodium vivax	JmjC domain containing protein	0.0073	0.0425	0.3841
Schistosoma mansoni	jumonji domain containing protein	0.0073	0.0425	0.0614
Echinococcus granulosus	histone lysine methyltransferase setb	0.0128	0.0993	0.1412
Schistosoma mansoni	hypothetical protein	0.0531	0.5086	0.7347
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1164	0.133
Toxoplasma gondii	PHD-finger domain-containing protein	0.004	0.0091	0.0215
Leishmania major	hypothetical protein, conserved	0.0073	0.0425	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0545	0.5228	0.5193
Trichomonas vaginalis	glucosylceramidase, putative	0.0545	0.5228	0.5193
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0039	0.0081	0.0104
Brugia malayi	jmjC domain containing protein	0.0073	0.0425	0.0486
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0128	0.0993	0.1412
Onchocerca volvulus		0.0038	0.0071	0.0071
Loa Loa (eye worm)	TATA binding protein associated factor	0.0038	0.0071	0.0082
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0052	0.0217	0.0313
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.011	0.0422
Trichomonas vaginalis	glucosylceramidase, putative	0.0545	0.5228	0.5193
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0038	0.0071	0.0078

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)	= 90 %	Inhibition of bovine eNOS expressed in insect Sf9 cells assessed as residual activity at 100 uM by Griess assay relative to control	ChEMBL.	19144449
Activity (binding)	= 90 %	Inhibition of rat recombinant nNOS expressed in insect Sf9 cells assessed as residual activity at 100 uM by Griess assay relative to control	ChEMBL.	19144449
Activity (binding)	= 100 %	Inhibition of mouse iNOS expressed in insect Sf9 cells assessed as residual activity at 100 uM by Griess assay relative to control	ChEMBL.	19144449

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: CHEMBL555340

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1046100