TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 357.357 | Formula: C19H19NO6
H donors: 0 H acceptors: 4 LogP: 4.33 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CC(O[N+](=O)[O-])COC(=O)C(c1cccc(c1)C(=O)c1ccccc1)C
InChi: 1S/C19H19NO6/c1-13(26-20(23)24)12-25-19(22)14(2)16-9-6-10-17(11-16)18(21)15-7-4-3-5-8-15/h3-11,13-14H,12H2,1-2H3
InChiKey: WGTJLXQITFRCTR-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	prostaglandin-endoperoxide synthase 2 (prostaglandin G/H synthase and cyclooxygenase)	Starlite/ChEMBL	References
Homo sapiens	prostaglandin-endoperoxide synthase 1 (prostaglandin G/H synthase and cyclooxygenase)	Starlite/ChEMBL	References

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
Entamoeba histolytica	threonyl-tRNA synthetase, putative	0.0054	0.0056	0.0841
Echinococcus multilocularis	methionyl tRNA synthetase, cytoplasmic	0.033	0.0597	1
Mycobacterium tuberculosis	Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.1446	0.2783	0.2774
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0094	0.1795
Brugia malayi	AMP-binding enzyme family protein	0.0119	0.0182	0.3169
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0073	0.0094	0.1409
Plasmodium falciparum	arginine--tRNA ligase	0.0031	0.0011	0.0361
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0119	0.0182	0.0171
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0073	0.0094	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0094	0.1795
Trichomonas vaginalis	leucyl-tRNA synthetase, putative	0.0064	0.0076	0.248
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0073	0.0094	0.1528
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0073	0.0094	0.3066
Wolbachia endosymbiont of Brugia malayi	valyl-tRNA synthetase	0.0064	0.0076	0.2198
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.0094	0.0083
Mycobacterium leprae	Probable pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.3319	0.6456	1
Entamoeba histolytica	acyl-coA synthetase, putative	0.0073	0.0094	0.1528
Loa Loa (eye worm)	oxidoreductase	0.0073	0.0094	0.1795
Mycobacterium tuberculosis	Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.3319	0.6456	0.6451
Toxoplasma gondii	isoleucyl-tRNA synthetase, putative	0.0064	0.0076	0.0117
Leishmania major	isoleucyl-tRNA synthetase, putative	0.0181	0.0305	1
Trypanosoma brucei	methionyl-tRNA synthetase, putative	0.0046	0.0041	0.1008
Onchocerca volvulus		0.0063	0.0074	0.2392
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0073	0.0094	0.2806
Schistosoma mansoni	peroxidasin	0.0063	0.0074	0.1242
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0073	0.0094	0.3066
Onchocerca volvulus		0.0063	0.0074	0.2392
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.0094	0.0083
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0073	0.0094	0.0125
Onchocerca volvulus	Peroxidasin homolog	0.0063	0.0074	0.2392
Onchocerca volvulus	Peroxidase homolog	0.0063	0.0074	0.2392
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Echinococcus granulosus	methionyl tRNA synthetase cytoplasmic	0.033	0.0597	1
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Schistosoma mansoni	isoleucine--tRNA ligase	0.0181	0.0305	0.5112
Trichomonas vaginalis	antibiotic synthetase, putative	0.0073	0.0094	0.3066
Giardia lamblia	Leucyl-tRNA synthetase	0.0072	0.0091	0.237
Echinococcus granulosus	valyl tRNA synthetase	0.0064	0.0076	0.1103
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.0094	0.0083
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0653	0.1229	0.1219
Schistosoma mansoni	peroxidasin	0.0063	0.0074	0.1242
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Brugia malayi	AMP-binding enzyme family protein	0.0055	0.0058	0.0875
Toxoplasma gondii	tRNA synthetase, putative	0.0064	0.0076	0.0117
Echinococcus multilocularis	peroxidasin	0.0063	0.0074	0.1078
Wolbachia endosymbiont of Brugia malayi	leucyl-tRNA synthetase	0.0111	0.0167	0.5292
Entamoeba histolytica	methionyl-tRNA synthetase, putative	0.0307	0.0551	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0091	0.1746
Onchocerca volvulus		0.0119	0.0182	0.7685
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0073	0.0094	0.008
Toxoplasma gondii	tRNA ligases class I (M) protein	0.0046	0.0041	0.0063
Loa Loa (eye worm)	animal heme peroxidase	0.0063	0.0074	0.1423
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0073	0.0094	0.1409
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0073	0.0094	0.0083
Brugia malayi	AMP-binding enzyme family protein	0.0073	0.0094	0.1528
Schistosoma mansoni	valine-tRNA ligase	0.0064	0.0076	0.1268
Wolbachia endosymbiont of Brugia malayi	threonyl-tRNA synthetase	0.0054	0.0056	0.1545
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0073	0.0094	0.0125
Brugia malayi	isoleucyl-tRNA synthetase	0.0181	0.0305	0.5446
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0073	0.0094	0.0083
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0045	0.0038	0.0027
Echinococcus multilocularis	valyl tRNA synthetase	0.0064	0.0076	0.1103
Echinococcus granulosus	Threonyl tRNA synthetase C	0.0062	0.0071	0.1021
Mycobacterium ulcerans	valyl-tRNA synthetase	0.0064	0.0076	0.0065
Toxoplasma gondii	pantoate-beta-alanine ligase	0.3319	0.6456	1
Onchocerca volvulus		0.0064	0.0076	0.2466
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0073	0.0094	0.0083
Onchocerca volvulus	Peroxidase homolog	0.0063	0.0074	0.2392
Loa Loa (eye worm)	animal heme peroxidase	0.0063	0.0074	0.1423
Treponema pallidum	leucyl-tRNA synthetase	0.0085	0.0116	0.195
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0	0.001
Loa Loa (eye worm)	animal heme peroxidase	0.0063	0.0074	0.1423
Echinococcus granulosus	glycyl tRNA synthetase	0.0168	0.0279	0.4571
Leishmania major	methionyl-tRNA synthetase, putative	0.0046	0.0041	0.1008
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.0094	0.0083
Leishmania major	4-coumarate:coa ligase-like protein	0.0073	0.0094	0.2806
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.0094	0.0083
Toxoplasma gondii	leucyl-tRNA synthetase (LeuRS2)	0.0064	0.0076	0.0117
Brugia malayi	glycyl-tRNA synthetase	0.0168	0.0279	0.4958
Echinococcus multilocularis	Threonyl tRNA synthetase, C	0.0062	0.0071	0.1021
Plasmodium falciparum	valine--tRNA ligase, putative	0.0064	0.0076	0.248
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0073	0.0094	0.1795
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.0074	0.1169
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0063	0.0074	0.006
Brugia malayi	Blistered cuticle protein 3	0.0063	0.0074	0.1169
Echinococcus granulosus	leucyl tRNA synthetase	0.0085	0.0117	0.1809
Wolbachia endosymbiont of Brugia malayi	isoleucyl-tRNA synthetase	0.0181	0.0305	1
Mycobacterium ulcerans	formamidopyrimidine-DNA glycosylase	0.0106	0.0158	0.0147
Leishmania major	acetyl-CoA synthetase, putative	0.0073	0.0094	0.2806
Loa Loa (eye worm)	hypothetical protein	0.0064	0.0076	0.1452
Onchocerca volvulus		0.0073	0.0094	0.3343
Loa Loa (eye worm)	hypothetical protein	0.0181	0.0305	0.5855
Onchocerca volvulus		0.0143	0.0229	1
Trichomonas vaginalis	isoleucyl tRNA synthetase, putative	0.0181	0.0305	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0058	0.1118
Brugia malayi	threonyl-tRNA synthetase, cytoplasmic	0.0062	0.0071	0.1107
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.0094	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0291	0.0521	1
Onchocerca volvulus		0.0073	0.0094	0.3343
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0086	0.0119	0.0106
Entamoeba histolytica	valyl tRNA synthetase, putative	0.0064	0.0076	0.1197
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0073	0.0094	0.0083
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0073	0.0094	0.0145
Plasmodium falciparum	threonine--tRNA ligase	0.0054	0.0056	0.185
Plasmodium falciparum	valine--tRNA ligase, putative	0.0064	0.0076	0.248
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0073	0.0094	0.0145
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0073	0.0094	0.0125
Entamoeba histolytica	leucyl-tRNA synthetase, putative	0.0064	0.0076	0.1197
Mycobacterium ulcerans	thioesterase	0.0534	0.0996	0.0986
Mycobacterium leprae	isoleucyl-tRNA synthetase IleS	0.0181	0.0305	0.0453
Leishmania major	acetyl-CoA synthetase, putative	0.0073	0.0094	0.2806
Mycobacterium tuberculosis	Isoleucyl-tRNA synthetase IleS	0.0117	0.0179	0.0166
Loa Loa (eye worm)	glycyl-tRNA synthetase	0.0168	0.0279	0.5349
Trichomonas vaginalis	methionine-tRNA synthetase, putative	0.0046	0.0041	0.1332
Giardia lamblia	Valine-tRNA ligase	0.0064	0.0076	0.1823
Plasmodium vivax	hypothetical protein, conserved	0.0111	0.0167	0.5462
Brugia malayi	valyl-tRNA synthetase family protein	0.0064	0.0076	0.1197
Mycobacterium ulcerans	pantoate--beta-alanine ligase	0.3319	0.6456	0.6452
Brugia malayi	AMP-binding enzyme family protein	0.0073	0.0094	0.1528
Mycobacterium tuberculosis	Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase)	0.0106	0.0158	0.0145
Mycobacterium leprae	PROBABLE VALYL-tRNA SYNTHASE PROTEIN VALS (VALYL-tRNA SYNTHETASE) (VALINE--tRNA LIGASE) (VALINE TRANSLASE) ELONGS TO CLASS-I AMI	0.0064	0.0076	0.0097
Brugia malayi	Valyl-tRNA synthetase	0.0064	0.0076	0.1197
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.0074	0.1169
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0073	0.0094	0.008
Schistosoma mansoni	isoleucine--tRNA ligase	0.0181	0.0305	0.5112
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0073	0.0094	0.008
Leishmania major	hypothetical protein, conserved	0.0038	0.0024	0.0458
Trichomonas vaginalis	isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative	0.0039	0.0025	0.083
Mycobacterium ulcerans	methionyl-tRNA synthetase	0.0046	0.0041	0.003
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0073	0.0094	0.3066
Treponema pallidum	valyl-tRNA synthetase	0.0064	0.0076	0.1197
Mycobacterium tuberculosis	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase)	0.0054	0.0056	0.0043
Wolbachia endosymbiont of Brugia malayi	methionyl-tRNA synthetase	0.0046	0.0041	0.1008
Toxoplasma gondii	methionyl-tRNA synthetase	0.0062	0.0071	0.0109
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0168	0.0279	0.4958
Loa Loa (eye worm)	hypothetical protein	0.0085	0.0116	0.2232
Brugia malayi	AMP-binding enzyme family protein	0.0073	0.0094	0.1528
Plasmodium vivax	isoleucine--tRNA ligase, putative	0.0181	0.0305	1
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0073	0.0094	0.1528
Brugia malayi	AMP-binding enzyme family protein	0.0073	0.0094	0.1528
Mycobacterium ulcerans	isoleucyl-tRNA synthetase	0.0181	0.0305	0.0294
Echinococcus multilocularis	isoleucyl tRNA synthetase, mitochondrial	0.0143	0.0229	0.3729
Plasmodium vivax	methionine--tRNA ligase, putative	0.0046	0.0041	0.1332
Giardia lamblia	Methionyl-tRNA synthetase	0.0046	0.0041	0.0576
Chlamydia trachomatis	isoleucine--tRNA ligase	0.0181	0.0305	0.502
Chlamydia trachomatis	leucine--tRNA ligase	0.0085	0.0116	0.1797
Brugia malayi	protein ZK524.3	0.0072	0.0091	0.1481
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.0074	0.1169
Trypanosoma cruzi	valyl-tRNA synthetase, putative	0.0064	0.0076	0.248
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0024	0.0011
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0062	0.0071	0.2321
Leishmania major	4-coumarate:coa ligase-like protein	0.0073	0.0094	0.2806
Onchocerca volvulus	Peroxidasin homolog	0.0063	0.0074	0.2392
Entamoeba histolytica	valyl-tRNA synthetase, putative	0.0064	0.0076	0.1197
Brugia malayi	AMP-binding enzyme family protein	0.0073	0.0094	0.1528
Loa Loa (eye worm)	multisynthetase complex auxiliary component p43	0.026	0.046	0.8828
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Schistosoma mansoni	acetyl-CoA synthetase	0.0073	0.0094	0.1567
Plasmodium vivax	threonine--tRNA ligase, putative	0.0054	0.0056	0.185
Plasmodium vivax	arginyl-tRNA synthetase, putative	0.0031	0.0011	0.0361
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.5127	1	1
Plasmodium falciparum	methionine--tRNA ligase, putative	0.0046	0.0041	0.1332
Schistosoma mansoni	methyltransferase-related	0.0038	0.0024	0.0411
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0073	0.0094	0.2806
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.0074	0.1169
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0119	0.0182	0.0169
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0062	0.0071	0.2321
Mycobacterium tuberculosis	Probable valyl-tRNA synthase protein ValS (valyl-tRNA synthetase) (valine--tRNA ligase) (valine translase)	0.0064	0.0076	0.0063
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0119	0.0182	0.0169
Schistosoma mansoni	methionine-tRNA synthetase	0.0046	0.0041	0.0681
Mycobacterium ulcerans	leucyl-tRNA synthetase	0.0085	0.0116	0.0105
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0073	0.0094	0.3066
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0073	0.0094	0.0083
Brugia malayi	isoleucyl-tRNA synthetase family protein	0.0181	0.0305	0.5446
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Chlamydia trachomatis	valine--tRNA ligase	0.0064	0.0076	0.1103
Echinococcus multilocularis	valyl tRNA synthetase	0.0064	0.0076	0.1103
Trichomonas vaginalis	leucyl-tRNA synthetase, putative	0.0064	0.0076	0.248
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0119	0.0182	0.0171
Brugia malayi	Peroxidasin	0.0063	0.0074	0.1169
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0073	0.0094	0.0083
Onchocerca volvulus		0.0063	0.0074	0.2392
Plasmodium vivax	valine--tRNA ligase, putative	0.0064	0.0076	0.248
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0073	0.0094	0.0083
Trypanosoma brucei	isoleucyl-tRNA synthetase, putative	0.0181	0.0305	1
Trichomonas vaginalis	valyl-tRNA synthetase, putative	0.0039	0.0025	0.083
Echinococcus granulosus	isoleucyl tRNA synthetase, cytoplasmic	0.0181	0.0305	0.502
Echinococcus multilocularis	isoleucyl tRNA synthetase, cytoplasmic	0.0181	0.0305	0.502
Echinococcus multilocularis	leucyl tRNA synthetase	0.0111	0.0167	0.2657
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.0094	0.0083
Echinococcus multilocularis	glycyl tRNA synthetase	0.0168	0.0279	0.4571
Leishmania major	leucyl-tRNA synthetase, putative	0.0111	0.0167	0.5292
Loa Loa (eye worm)	threonyl-tRNA synthetase	0.0062	0.0071	0.1359
Plasmodium falciparum	methionine--tRNA ligase	0.0046	0.0041	0.1332
Brugia malayi	Methyltransferase-like protein 4	0.0038	0.0024	0.025
Treponema pallidum	methionyl-tRNA synthetase	0.0307	0.0551	1
Schistosoma mansoni	valine-tRNA ligase	0.0064	0.0076	0.1268
Mycobacterium leprae	Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE)	0.0106	0.0158	0.0225
Leishmania major	4-coumarate:coa ligase-like protein	0.0073	0.0094	0.2806
Trypanosoma cruzi	valyl-tRNA synthetase, putative	0.0039	0.0025	0.083
Trypanosoma cruzi	leucyl-tRNA synthetase, putative	0.0064	0.0076	0.248
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0086	0.0119	0.1993
Mycobacterium tuberculosis	Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase)	0.0046	0.0041	0.0027
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0086	0.0119	0.1993
Mycobacterium tuberculosis	Hypothetical protein	0.0038	0.0024	0.0011
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0119	0.0182	0.0169
Loa Loa (eye worm)	isoleucyl-tRNA synthetase	0.0181	0.0305	0.5855
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0024	0.0803
Mycobacterium ulcerans	acyl-CoA synthetase	0.0086	0.0119	0.0108
Plasmodium falciparum	leucine--tRNA ligase, putative	0.0064	0.0076	0.248
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0073	0.0094	0.3066
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0025	0.0486
Echinococcus granulosus	valyl tRNA synthetase	0.0064	0.0076	0.1103
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Loa Loa (eye worm)	animal heme peroxidase	0.0063	0.0074	0.1423
Mycobacterium ulcerans	polyketide synthase associated protein PapA3	0.0032	0.0013	0.0002
Loa Loa (eye worm)	blistered cuticle protein 3	0.0063	0.0074	0.1423
Mycobacterium leprae	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase)	0.0054	0.0056	0.0067
Echinococcus granulosus	isoleucyl trna synthetase mitochondrial	0.0143	0.0229	0.3729
Schistosoma mansoni	methionine-tRNA synthetase	0.033	0.0597	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.0094	0.0083
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0073	0.0094	0.0125
Brugia malayi	Animal haem peroxidase family protein	0.0063	0.0074	0.1169
Mycobacterium ulcerans	hypothetical protein	0.0073	0.0094	0.0083
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0073	0.0094	0.008
Trichomonas vaginalis	leucyl-tRNA synthetase, putative	0.0039	0.0025	0.083
Plasmodium falciparum	isoleucine--tRNA ligase, putative	0.0171	0.0284	0.9307
Plasmodium falciparum	isoleucine--tRNA ligase, putative	0.0181	0.0305	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0073	0.0094	0.008
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.1784	0.3447	0.3438
Treponema pallidum	threonyl-tRNA synthetase	0.0054	0.0056	0.0841
Toxoplasma gondii	threonyl-tRNA synthetase family protein	0.0054	0.0056	0.0087
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0073	0.0094	0.3066
Onchocerca volvulus	Chorion peroxidase homolog	0.0063	0.0074	0.2392
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0045	0.0038	0.0039
Schistosoma mansoni	threonyl-tRNA synthetase	0.0049	0.0046	0.0773
Trypanosoma brucei	threonyl-tRNA synthetase, putative	0.0062	0.0071	0.2033
Leishmania major	threonyl-tRNA synthetase, putative	0.0062	0.0071	0.2033
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0073	0.0094	0.008
Trypanosoma cruzi	isoleucyl-tRNA synthetase, putative	0.0181	0.0305	1
Onchocerca volvulus	Dual oxidase homolog	0.0063	0.0074	0.2392
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.1446	0.2783	0.2775
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0094	0.1795
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0073	0.0094	0.1528
Onchocerca volvulus		0.0119	0.0182	0.7685
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Trypanosoma brucei	leucyl-tRNA synthetase, putative	0.0064	0.0076	0.2198
Onchocerca volvulus		0.0086	0.0119	0.4572
Plasmodium vivax	methionine--tRNA ligase, putative	0.0046	0.0041	0.1332
Chlamydia trachomatis	threonine--tRNA ligase	0.0062	0.0071	0.1021
Trypanosoma cruzi	arginyl-tRNA synthetase, putative	0.0031	0.0011	0.0361
Echinococcus multilocularis	methionine tRNA synthetase	0.0046	0.0041	0.0506
Loa Loa (eye worm)	hypothetical protein	0.0143	0.0229	0.4403
Echinococcus multilocularis	leucyl tRNA synthetase	0.0064	0.0076	0.1103
Brugia malayi	methionyl-tRNA synthetase	0.0307	0.0551	1
Giardia lamblia	Isoleucyl-tRNA synthetase	0.0181	0.0305	1
Leishmania major	valyl-tRNA synthetase, putative	0.0064	0.0076	0.2198
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0094	0.1795
Mycobacterium leprae	Probable methionyl-tRNA synthase MetS	0.0046	0.0041	0.0043
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0119	0.0182	0.3496
Brugia malayi	hypothetical protein	0.0063	0.0074	0.1169
Schistosoma mansoni	arginyl-tRNA synthetase	0.0031	0.0011	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Schistosoma mansoni	glycyl-tRNA synthetase	0.0168	0.0279	0.4671
Brugia malayi	methionyl-tRNA synthetase	0.0046	0.0041	0.0549
Wolbachia endosymbiont of Brugia malayi	formamidopyrimidine-DNA glycosylase	0.0106	0.0158	0.4996
Mycobacterium leprae	Probable cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.1446	0.2783	0.4299
Echinococcus granulosus	leucyl tRNA synthetase	0.0064	0.0076	0.1103
Brugia malayi	AMP-binding enzyme family protein	0.0073	0.0094	0.1528
Toxoplasma gondii	leucyl-tRNA synthetase	0.0064	0.0076	0.0117
Mycobacterium ulcerans	formamidopyrimidine-DNA glycosylase	0.0106	0.0158	0.0147
Entamoeba histolytica	isoleucyl-tRNA synthetase, putative	0.0181	0.0305	0.5446
Trypanosoma brucei	valyl-tRNA synthetase, putative	0.0064	0.0076	0.2198
Mycobacterium tuberculosis	Possible DNA glycosylase	0.0106	0.0158	0.0145
Toxoplasma gondii	isoleucyl-tRNA synthetase family protein	0.0181	0.0305	0.0472
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0155	0.0253	0.4855
Giardia lamblia	Threonyl-tRNA synthetase	0.0054	0.0056	0.1138
Trichomonas vaginalis	antibiotic synthetase, putative	0.0073	0.0094	0.3066
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.0094	0.0083
Trypanosoma cruzi	methionyl-tRNA synthetase, putative	0.0046	0.0041	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0074	0.1423
Chlamydia trachomatis	methionine--tRNA ligase	0.033	0.0597	1
Echinococcus granulosus	peroxidasin	0.0063	0.0074	0.1078
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0073	0.0094	0.2806
Echinococcus granulosus	methionine tRNA synthetase	0.0046	0.0041	0.0506
Toxoplasma gondii	propionate-CoA ligase	0.0073	0.0094	0.0145
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0086	0.0119	0.0164
Schistosoma mansoni	leucyl-tRNA synthetase	0.0111	0.0167	0.2793
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0073	0.0094	0.008
Trichomonas vaginalis	threonyl-tRNA synthetase, putative	0.0054	0.0056	0.185
Treponema pallidum	isoleucyl-tRNA synthetase	0.0181	0.0305	0.5446
Mycobacterium ulcerans	acyl-CoA synthetase	0.0073	0.0094	0.0083
Mycobacterium ulcerans	threonyl-tRNA synthetase	0.0054	0.0056	0.0045
Loa Loa (eye worm)	methionyl-tRNA synthetase	0.0046	0.0041	0.078
Toxoplasma gondii	valyl-tRNA synthetase	0.0064	0.0076	0.0117
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0094	0.1795
Brugia malayi	leucyl-tRNA synthetase	0.0064	0.0076	0.1197
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0119	0.0182	0.0171

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 70 %	Induction of profen release in human whole blood at 10 uM after 22 hrs by HPLC	ChEMBL.	18667313
IC50 (binding)	= 0.6 uM	Inhibition of COX1 in human whole blood	ChEMBL.	18667313
IC50 (binding)	= 0.73 uM	Inhibition of COX2 in human whole blood	ChEMBL.	18667313
Inhibition (functional)	= 26 %	Antiproliferative activity against human PC3 cells at 100 uM after 72 hrs by MTT assay	ChEMBL.	18667313

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.

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External resources for this compound

ChEMBL: CHEMBL497858

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1005864