TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 295.329 | Formula: C14H14FNO3S
H donors: 0 H acceptors: 2 LogP: 1.05 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccccc1CN1C[C@]23[C@@H](S1(=O)=O)C[C@H](O3)C=C2
InChi: 1S/C14H14FNO3S/c15-12-4-2-1-3-10(12)8-16-9-14-6-5-11(19-14)7-13(14)20(16,17)18/h1-6,11,13H,7-9H2/t11-,13+,14+/m1/s1
InChiKey: NMDYZZWQOLSXLC-XBFCOCLRSA-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
Mycobacterium ulcerans	pantoate--beta-alanine ligase	0.3197	1	1
Toxoplasma gondii	tRNA ligases class I (M) protein	0.0025	0.001	0.0009
Wolbachia endosymbiont of Brugia malayi	valyl-tRNA synthetase	0.0047	0.008	0.2248
Schistosoma mansoni	leucyl-tRNA synthetase	0.0072	0.0159	0.3059
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0028	0.0019	0.0502
Plasmodium falciparum	methionine--tRNA ligase	0.0025	0.001	0.0227
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.1528	0.4743	0.4743
Trypanosoma brucei	isoleucyl-tRNA synthetase, putative	0.0133	0.035	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0039	0.09
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0412
Schistosoma mansoni	arginyl-tRNA synthetase	0.0029	0.0022	0.0399
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0019	0.0371
Echinococcus granulosus	leucyl tRNA synthetase	0.0069	0.015	0.2889
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0006	0.0006
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0037	0.0046	0.0046
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0019	0.0019
Wolbachia endosymbiont of Brugia malayi	methionyl-tRNA synthetase	0.0025	0.001	0.025
Echinococcus multilocularis	leucyl tRNA synthetase	0.0072	0.0159	0.3059
Mycobacterium ulcerans	hypothetical protein	0.0028	0.0019	0.0019
Trypanosoma brucei	threonyl-tRNA synthetase, putative	0.0057	0.0112	0.316
Brugia malayi	leucyl-tRNA synthetase	0.0047	0.008	0.1662
Onchocerca volvulus		0.0105	0.0261	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0028	0.0019	0.0019
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0058	0.0115	0.2675
Leishmania major	arginyl-tRNA synthetase, putative	0.0029	0.0022	0.0587
Plasmodium vivax	arginyl-tRNA synthetase, putative	0.0029	0.0022	0.0587
Brugia malayi	valyl-tRNA synthetase family protein	0.0047	0.008	0.1662
Mycobacterium ulcerans	bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ACP synthetase	0.1718	0.5342	0.5342
Toxoplasma gondii	tRNA synthetase, putative	0.0047	0.008	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0069	0.1602
Wolbachia endosymbiont of Brugia malayi	formamidopyrimidine-DNA glycosylase	0.0097	0.0237	0.6766
Trypanosoma cruzi	isoleucyl-tRNA synthetase, putative	0.0133	0.035	1
Leishmania major	hypothetical protein, conserved	0.0026	0.0012	0.0319
Echinococcus multilocularis	leucyl tRNA synthetase	0.0047	0.008	0.1525
Trypanosoma brucei	methionyl-tRNA synthetase, putative	0.0025	0.001	0.025
Mycobacterium ulcerans	cysteinyl-tRNA synthetase	0.0022	0.0001	0.0001
Toxoplasma gondii	methionyl-tRNA synthetase	0.004	0.0057	0.0056
Mycobacterium leprae	Probable methionyl-tRNA synthase MetS	0.0025	0.001	0.001
Loa Loa (eye worm)	multisynthetase complex auxiliary component p43	0.0147	0.0394	0.9246
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0028	0.0019	0.0502
Trichomonas vaginalis	leucyl-tRNA synthetase, putative	0.0028	0.002	0.0547
Mycobacterium tuberculosis	Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase)	0.0025	0.001	0.001
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0019	0.0019
Schistosoma mansoni	threonyl-tRNA synthetase	0.0046	0.0075	0.1431
Echinococcus granulosus	valyl tRNA synthetase	0.0047	0.008	0.1525
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0019	0.0019
Brugia malayi	threonyl-tRNA synthetase, cytoplasmic	0.0057	0.0112	0.2337
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0028	0.0019	0.0019
Mycobacterium ulcerans	leucyl-tRNA synthetase	0.0053	0.0099	0.0099
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0019	0.0502
Plasmodium vivax	isoleucine--tRNA ligase, putative	0.0133	0.035	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0412
Mycobacterium tuberculosis	Probable valyl-tRNA synthase protein ValS (valyl-tRNA synthetase) (valine--tRNA ligase) (valine translase)	0.0047	0.008	0.008
Mycobacterium leprae	Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA GLYCOSYLASE)	0.0097	0.0237	0.0237
Brugia malayi	protein ZK524.3	0.0044	0.0069	0.1443
Plasmodium vivax	methionine--tRNA ligase, putative	0.0025	0.001	0.025
Mycobacterium ulcerans	formamidopyrimidine-DNA glycosylase	0.0097	0.0237	0.0237
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0065	0.0134	0.282
Mycobacterium ulcerans	isoleucyl-tRNA synthetase	0.0133	0.035	0.035
Chlamydia trachomatis	arginine--tRNA ligase	0.0029	0.0022	0.0399
Entamoeba histolytica	acyl-coA synthetase, putative	0.0028	0.0019	0.0371
Wolbachia endosymbiont of Brugia malayi	leucyl-tRNA synthetase	0.0072	0.0159	0.4508
Plasmodium falciparum	isoleucine--tRNA ligase, putative	0.0133	0.035	0.9071
Trypanosoma cruzi	valyl-tRNA synthetase, putative	0.0047	0.008	0.2248
Brugia malayi	methionyl-tRNA synthetase	0.0172	0.0473	1
Mycobacterium leprae	PROBABLE VALYL-tRNA SYNTHASE PROTEIN VALS (VALYL-tRNA SYNTHETASE) (VALINE--tRNA LIGASE) (VALINE TRANSLASE) ELONGS TO CLASS-I AMI	0.0047	0.008	0.008
Trichomonas vaginalis	leucyl-tRNA synthetase, putative	0.0047	0.008	0.2248
Mycobacterium ulcerans	methionyl-tRNA synthetase	0.0025	0.001	0.001
Toxoplasma gondii	pantoate-beta-alanine ligase	0.3197	1	1
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0412
Mycobacterium ulcerans	thioesterase	0.0361	0.1068	0.1068
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0058	0.0115	0.0115
Leishmania major	methionyl-tRNA synthetase, putative	0.0025	0.001	0.025
Loa Loa (eye worm)	hypothetical protein	0.0047	0.008	0.1845
Echinococcus multilocularis	acetyl coenzyme A synthetase, cytoplasmic	0.0028	0.0019	0.0341
Giardia lamblia	Methyltransferase like 2	0.0026	0.0012	0.0319
Trichomonas vaginalis	leucyl-tRNA synthetase, putative	0.0047	0.008	0.2248
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0028	0.0019	0.0502
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0028	0.0019	0.0019
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0028	0.0019	0.0019
Giardia lamblia	Leucyl-tRNA synthetase	0.0044	0.0069	0.1951
Brugia malayi	AMP-binding enzyme family protein	0.0034	0.0039	0.0811
Chlamydia trachomatis	isoleucine--tRNA ligase	0.0133	0.035	0.6785
Trypanosoma cruzi	arginyl-tRNA synthetase, putative	0.0029	0.0022	0.0587
Giardia lamblia	Isoleucyl-tRNA synthetase	0.0133	0.035	1
Trypanosoma cruzi	methionyl-tRNA synthetase, putative	0.0025	0.001	0.025
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0019	0.0019
Leishmania major	acetyl-CoA synthetase, putative	0.0028	0.0019	0.0502
Entamoeba histolytica	isoleucyl-tRNA synthetase, putative	0.0133	0.035	0.7395
Mycobacterium tuberculosis	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase)	0.0051	0.009	0.009
Schistosoma mansoni	isoleucine--tRNA ligase	0.0133	0.035	0.6785
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0019	0.0019
Loa Loa (eye worm)	isoleucyl-tRNA synthetase	0.0133	0.035	0.8209
Trichomonas vaginalis	valyl-tRNA synthetase, putative	0.0028	0.002	0.0547
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0019	0.0019
Mycobacterium leprae	POSSIBLE O-SUCCINYLBENZOIC ACID--CoA LIGASE MENE (OSB-CoA SYNTHETASE) (O-SUCCINYLBENZOATE-CoA SYNTHASE)	0.0028	0.0019	0.0019
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0419	0.1252	0.1252
Onchocerca volvulus		0.0058	0.0115	0.4378
Toxoplasma gondii	threonyl-tRNA synthetase family protein	0.0051	0.009	0.0089
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0019	0.0019
Onchocerca volvulus		0.0028	0.0019	0.0674
Entamoeba histolytica	valyl-tRNA synthetase, putative	0.0047	0.008	0.1662
Onchocerca volvulus		0.0028	0.0019	0.0674
Brugia malayi	AMP-binding enzyme family protein	0.0058	0.0115	0.241
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0105	0.0261	0.6111
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0019	0.0019
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0028	0.0019	0.0019
Brugia malayi	isoleucyl-tRNA synthetase family protein	0.0133	0.035	0.7395
Schistosoma mansoni	isoleucine--tRNA ligase	0.0133	0.035	0.6785
Trichomonas vaginalis	antibiotic synthetase, putative	0.0028	0.0019	0.0502
Leishmania major	leucyl-tRNA synthetase, putative	0.0072	0.0159	0.4508
Echinococcus multilocularis	Threonyl tRNA synthetase, C	0.0057	0.0112	0.2144
Trichomonas vaginalis	isoleucyl tRNA synthetase, putative	0.0133	0.035	1
Chlamydia trachomatis	leucine--tRNA ligase	0.0053	0.0099	0.1904
Echinococcus multilocularis	valyl tRNA synthetase	0.0047	0.008	0.1525
Plasmodium vivax	valine--tRNA ligase, putative	0.0047	0.008	0.2248
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0057	0.0112	0.316
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0019	0.0371
Onchocerca volvulus		0.0047	0.008	0.302
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0019	0.0371
Toxoplasma gondii	valyl-tRNA synthetase	0.0047	0.008	0.0079
Mycobacterium leprae	POSSIBLE FATTY-ACID-CoA LIGASE FADD10 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0019	0.0019
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0012	0.0319
Echinococcus granulosus	arginyl tRNA synthetase cytoplasmic	0.0029	0.0022	0.0399
Brugia malayi	arginyl aa-tRNA synthetase protein 1	0.0029	0.0022	0.0434
Echinococcus multilocularis	methionine tRNA synthetase	0.0025	0.001	0.017
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0019	0.0371
Giardia lamblia	Valine-tRNA ligase	0.0047	0.008	0.2248
Wolbachia endosymbiont of Brugia malayi	threonyl-tRNA synthetase	0.0051	0.009	0.2547
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0058	0.0115	0.0115
Plasmodium falciparum	valine--tRNA ligase, putative	0.0047	0.008	0.2039
Onchocerca volvulus		0.0058	0.0115	0.4378
Schistosoma mansoni	valine-tRNA ligase	0.0047	0.008	0.1525
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0058	0.0115	0.0115
Schistosoma mansoni	methyltransferase-related	0.0026	0.0012	0.0216
Treponema pallidum	threonyl-tRNA synthetase	0.0051	0.009	0.1884
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0028	0.0019	0.0371
Chlamydia trachomatis	valine--tRNA ligase	0.0047	0.008	0.1525
Echinococcus multilocularis	glycyl tRNA synthetase	0.0065	0.0134	0.2587
Toxoplasma gondii	isoleucyl-tRNA synthetase family protein	0.0133	0.035	0.0349
Toxoplasma gondii	propionate-CoA ligase	0.0028	0.0019	0.0018
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0028	0.0019	0.0019
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0052	0.0096	0.2228
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0037	0.0046	0.0949
Plasmodium falciparum	isoleucine--tRNA ligase, putative	0.0145	0.0386	1
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0058	0.0115	0.0115
Plasmodium falciparum	threonine--tRNA ligase	0.0051	0.009	0.2311
Wolbachia endosymbiont of Brugia malayi	isoleucyl-tRNA synthetase	0.0133	0.035	1
Brugia malayi	isoleucyl-tRNA synthetase	0.0133	0.035	0.7395
Trypanosoma brucei	arginyl-tRNA synthetase, putative	0.0029	0.0022	0.0587
Treponema pallidum	valyl-tRNA synthetase	0.0047	0.008	0.1662
Treponema pallidum	arginyl-tRNA synthetase	0.0029	0.0022	0.0434
Mycobacterium tuberculosis	Cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.1528	0.4743	0.4743
Toxoplasma gondii	isoleucyl-tRNA synthetase, putative	0.0047	0.008	0.0079
Toxoplasma gondii	leucyl-tRNA synthetase (LeuRS2)	0.0047	0.008	0.0079
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.0159	0.4508
Entamoeba histolytica	methionyl-tRNA synthetase, putative	0.0172	0.0473	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0031	0.0027	0.0027
Onchocerca volvulus		0.0037	0.0046	0.1723
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0028	0.0019	0.0019
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0019	0.0019
Mycobacterium ulcerans	threonyl-tRNA synthetase	0.0051	0.009	0.009
Echinococcus granulosus	isoleucyl tRNA synthetase, cytoplasmic	0.0133	0.035	0.6785
Mycobacterium leprae	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase)	0.0051	0.009	0.009
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0031	0.0027	0.0027
Entamoeba histolytica	valyl tRNA synthetase, putative	0.0047	0.008	0.1662
Trypanosoma brucei	leucyl-tRNA synthetase, putative	0.0047	0.008	0.2248
Mycobacterium leprae	isoleucyl-tRNA synthetase IleS	0.0133	0.035	0.035
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0028	0.0019	0.0455
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0028	0.0019	0.0018
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0028	0.0019	0.0502
Echinococcus granulosus	isoleucyl trna synthetase mitochondrial	0.0105	0.0261	0.5051
Trichomonas vaginalis	isoleucyl, leucyl, tyrosyl, valyl and methionyl-tRNA synthetases, putative	0.0028	0.002	0.0547
Schistosoma mansoni	valine-tRNA ligase	0.0047	0.008	0.1525
Echinococcus granulosus	leucyl tRNA synthetase	0.0047	0.008	0.1525
Chlamydia trachomatis	threonine--tRNA ligase	0.0057	0.0112	0.2144
Treponema pallidum	isoleucyl-tRNA synthetase	0.0133	0.035	0.7395
Entamoeba histolytica	leucyl-tRNA synthetase, putative	0.0047	0.008	0.1662
Schistosoma mansoni	methionine-tRNA synthetase	0.0186	0.0516	1
Loa Loa (eye worm)	hypothetical protein	0.0133	0.035	0.8209
Mycobacterium ulcerans	acetyl-CoA synthetase	0.0028	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0019	0.0412
Leishmania major	acetyl-CoA synthetase, putative	0.0028	0.0019	0.0502
Mycobacterium ulcerans	valyl-tRNA synthetase	0.0047	0.008	0.008
Mycobacterium tuberculosis	Hypothetical protein	0.0026	0.0012	0.0012
Trypanosoma brucei	valyl-tRNA synthetase, putative	0.0047	0.008	0.2248
Echinococcus granulosus	acetyl coenzyme A synthetase cytoplasmic	0.0028	0.0019	0.0341
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0019	0.0019
Giardia lamblia	Methionyl-tRNA synthetase	0.0025	0.001	0.025
Leishmania major	long-chain-fatty-acid-CoA ligase, putative	0.0028	0.0019	0.0502
Giardia lamblia	Threonyl-tRNA synthetase	0.0051	0.009	0.2547
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.1718	0.5342	0.5342
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0057	0.0112	0.316
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0028	0.0019	0.0502
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0019	0.0502
Mycobacterium tuberculosis	Isoleucyl-tRNA synthetase IleS	0.0086	0.0202	0.0202
Leishmania major	threonyl-tRNA synthetase, putative	0.0057	0.0112	0.316
Mycobacterium tuberculosis	Probable formamidopyrimidine-DNA glycosylase Fpg (FAPY-DNA glycosylase)	0.0097	0.0237	0.0237
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0028	0.0019	0.0502
Loa Loa (eye worm)	glycyl-tRNA synthetase	0.0065	0.0134	0.313
Echinococcus granulosus	Threonyl tRNA synthetase C	0.0057	0.0112	0.2144
Brugia malayi	Methyltransferase-like protein 4	0.0026	0.0012	0.0236
Loa Loa (eye worm)	methionyl-tRNA synthetase	0.0025	0.001	0.0206
Loa Loa (eye worm)	hypothetical protein	0.0028	0.002	0.0449
Mycobacterium tuberculosis	Conserved protein	0.0026	0.0012	0.0012
Entamoeba histolytica	arginyl-tRNA synthetase	0.0029	0.0022	0.0434
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0019	0.0371
Brugia malayi	Valyl-tRNA synthetase	0.0047	0.008	0.1662
Trichomonas vaginalis	methionine-tRNA synthetase, putative	0.0025	0.001	0.025
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0058	0.0115	0.0115
Schistosoma mansoni	acetyl-CoA synthetase	0.0028	0.0019	0.0341
Trypanosoma cruzi	valyl-tRNA synthetase, putative	0.0028	0.002	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0427	1
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0058	0.0115	0.0115
Plasmodium vivax	threonine--tRNA ligase, putative	0.0051	0.009	0.2547
Mycobacterium ulcerans	O-succinylbenzoic acid--CoA ligase	0.0028	0.0019	0.0019
Plasmodium falciparum	leucine--tRNA ligase, putative	0.0047	0.008	0.2039
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0028	0.0019	0.0502
Chlamydia trachomatis	methionine--tRNA ligase	0.0186	0.0516	1
Mycobacterium tuberculosis	Possible DNA glycosylase	0.0097	0.0237	0.0237
Plasmodium falciparum	valine--tRNA ligase, putative	0.0047	0.008	0.2039
Treponema pallidum	leucyl-tRNA synthetase	0.0053	0.0099	0.2076
Mycobacterium ulcerans	arginyl-tRNA synthetase	0.0029	0.0022	0.0022
Echinococcus multilocularis	isoleucyl tRNA synthetase, cytoplasmic	0.0133	0.035	0.6785
Echinococcus multilocularis	isoleucyl tRNA synthetase, mitochondrial	0.0105	0.0261	0.5051
Treponema pallidum	methionyl-tRNA synthetase	0.0172	0.0473	1
Toxoplasma gondii	Acetyl-coenzyme A synthetase 2, putative	0.0028	0.0019	0.0018
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0099	0.2304
Brugia malayi	methionyl-tRNA synthetase	0.0025	0.001	0.0185
Plasmodium falciparum	methionine--tRNA ligase, putative	0.0025	0.001	0.0227
Leishmania major	isoleucyl-tRNA synthetase, putative	0.0133	0.035	1
Onchocerca volvulus		0.0028	0.002	0.0735
Leishmania major	4-coumarate:coa ligase-like protein	0.0028	0.0019	0.0502
Schistosoma mansoni	methionine-tRNA synthetase	0.0025	0.001	0.017
Echinococcus multilocularis	valyl tRNA synthetase	0.0047	0.008	0.1525
Leishmania major	valyl-tRNA synthetase, putative	0.0047	0.008	0.2248
Wolbachia endosymbiont of Brugia malayi	arginyl-tRNA synthetase	0.0029	0.0022	0.0587
Echinococcus granulosus	methionyl tRNA synthetase cytoplasmic	0.0186	0.0516	1
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.1185	0.3662	0.3662
Entamoeba histolytica	long-chain-fatty-acid--CoA ligase, putative	0.0028	0.0019	0.0371
Mycobacterium leprae	Probable cysteine:1D-myo-inosityl 2-amino-2-deoxy--D-glucopyranoside ligase MshC	0.1528	0.4743	0.4743
Plasmodium falciparum	arginine--tRNA ligase	0.0029	0.0022	0.0533
Entamoeba histolytica	threonyl-tRNA synthetase, putative	0.0051	0.009	0.1884
Schistosoma mansoni	glycyl-tRNA synthetase	0.0065	0.0134	0.2587
Mycobacterium ulcerans	long-chain-acyl-CoA synthetase	0.0028	0.0019	0.0019
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0028	0.0019	0.0019
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0019	0.0019
Loa Loa (eye worm)	threonyl-tRNA synthetase	0.0057	0.0112	0.2594
Trichomonas vaginalis	antibiotic synthetase, putative	0.0028	0.0019	0.0502
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0037	0.0046	0.0046
Brugia malayi	AMP-binding enzyme family protein	0.0028	0.0019	0.0371
Echinococcus granulosus	valyl tRNA synthetase	0.0047	0.008	0.1525
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0028	0.0019	0.0371
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0019	0.0019
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0028	0.0019	0.0412
Echinococcus multilocularis	arginyl tRNA synthetase, cytoplasmic	0.0029	0.0022	0.0399
Trichomonas vaginalis	threonyl-tRNA synthetase, putative	0.0051	0.009	0.2547
Echinococcus multilocularis	methionyl tRNA synthetase, cytoplasmic	0.0186	0.0516	1
Loa Loa (eye worm)	oxidoreductase	0.0028	0.0019	0.0412
Echinococcus granulosus	glycyl tRNA synthetase	0.0065	0.0134	0.2587
Trypanosoma cruzi	leucyl-tRNA synthetase, putative	0.0047	0.008	0.2248
Toxoplasma gondii	leucyl-tRNA synthetase	0.0047	0.008	0.0079
Mycobacterium tuberculosis	Pantoate--beta-alanine ligase PanC (pantothenate synthetase) (pantoate activating enzyme)	0.3197	1	1
Echinococcus granulosus	methionine tRNA synthetase	0.0025	0.001	0.017
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0037	0.0046	0.0949
Mycobacterium ulcerans	formamidopyrimidine-DNA glycosylase	0.0097	0.0237	0.0237
Mycobacterium ulcerans	acyl-CoA synthetase	0.0028	0.0019	0.0019
Mycobacterium ulcerans	acyl-CoA synthetase	0.0037	0.0046	0.0046
Brugia malayi	glycyl-tRNA synthetase	0.0065	0.0134	0.282
Plasmodium vivax	methionine--tRNA ligase, putative	0.0025	0.001	0.025

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.2332 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)	22.3872 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL2373624

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1747341