TDR Targets

Basic information

Technical information

TDR Targets ID: 341139
Name: 1-(4-bromothiophen-2-yl)-2-[(2-phenoxyphenyl) methylamino]ethanol
MW: 404.321 | Formula: C19H18BrNO2S
H donors: 2 H acceptors: 1 LogP: 4.07 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Brc1csc(c1)C(CNCc1ccccc1Oc1ccccc1)O
InChi: 1S/C19H18BrNO2S/c20-15-10-19(24-13-15)17(22)12-21-11-14-6-4-5-9-18(14)23-16-7-2-1-3-8-16/h1-10,13,17,21-22H,11-12H2
InChiKey: JVMPJVROHTYUSG-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

1-(4-bromo-2-thienyl)-2-[(2-phenoxyphenyl)methylamino]ethanol
1-(4-bromo-2-thienyl)-2-[(2-phenoxybenzyl)amino]ethanol
1-(4-bromothiophen-2-yl)-2-[[2-(phenoxy)phenyl]methylamino]ethanol
1-(4-bromo-2-thienyl)-2-[[2-(phenoxy)phenyl]methylamino]ethanol
1-(4-bromo-2-thienyl)-2-[[2-(phenoxy)benzyl]amino]ethanol

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Staphylococcus aureus	Phenylalanyl-tRNA synthetase alpha chain	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Cryptosporidium hominis	phenylalanyl-trna synthetase-like protein	Get druggable targets OG5_127036	All targets in OG5_127036
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	Get druggable targets OG5_127036	All targets in OG5_127036
Chlamydia trachomatis	phenylalanine--tRNA ligase subunit alpha	Get druggable targets OG5_127036	All targets in OG5_127036
Plasmodium knowlesi	phenylalanine--tRNA ligase alpha subunit, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	Get druggable targets OG5_127036	All targets in OG5_127036
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Leishmania infantum	phenylalanyl-tRNA synthetase alpha chain, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	Get druggable targets OG5_127036	All targets in OG5_127036
Trypanosoma brucei gambiense	phenylalanyl-tRNA synthetase alpha chain, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Neospora caninum	hypothetical protein	Get druggable targets OG5_127036	All targets in OG5_127036
Plasmodium berghei	phenylalanine--tRNA ligase alpha subunit, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Schistosoma japonicum	ko:K01889 phenylalanyl-tRNA synthetase alpha chain [EC6.1.1.20A], putative	Get druggable targets OG5_127036	All targets in OG5_127036
Trypanosoma congolense	phenylalanyl-tRNA synthetase alpha chain, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127036	All targets in OG5_127036
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	Get druggable targets OG5_127036	All targets in OG5_127036
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Entamoeba histolytica	phenylalanyl-tRNA synthetase alpha subunit, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	Get druggable targets OG5_127036	All targets in OG5_127036
Candida albicans	phenylalanyl-tRNA synthetase	Get druggable targets OG5_127036	All targets in OG5_127036
Treponema pallidum	phenylalanyl-tRNA synthetase subunit alpha	Get druggable targets OG5_127036	All targets in OG5_127036
Cryptosporidium parvum	putative phenylalanyl-tRNA synthetase	Get druggable targets OG5_127036	All targets in OG5_127036
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	Get druggable targets OG5_127036	All targets in OG5_127036
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Mycobacterium leprae	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	Get druggable targets OG5_127036	All targets in OG5_127036
Candida albicans	phenylalanyl-tRNA synthetase	Get druggable targets OG5_127036	All targets in OG5_127036
Leishmania donovani	phenylalanyl-tRNA synthetase alpha chain, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	Get druggable targets OG5_127036	All targets in OG5_127036
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	Get druggable targets OG5_127036	All targets in OG5_127036
Leishmania mexicana	phenylalanyl-tRNA synthetase alpha chain, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Theileria parva	phenylalanyl-tRNA synthetase alpha chain, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Babesia bovis	phenylalanyl-tRNA synthetase family protein	Get druggable targets OG5_127036	All targets in OG5_127036
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Plasmodium yoelii	phenylalanyl-tRNA synthetase, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Leishmania braziliensis	phenylalanyl-tRNA synthetase alpha chain, putative	Get druggable targets OG5_127036	All targets in OG5_127036
Giardia lamblia	Phenylalanyl-tRNA synthetase alpha chain	Get druggable targets OG5_127036	All targets in OG5_127036

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Candida albicans	phenylalanine--tRNA ligase	Phenylalanyl-tRNA synthetase alpha chain	352 aa	314 aa	27.1 %
Echinococcus granulosus	phenylalanyl tRNA synthetase	Phenylalanyl-tRNA synthetase alpha chain	352 aa	291 aa	29.6 %
Echinococcus multilocularis	phenylalanyl tRNA synthetase	Phenylalanyl-tRNA synthetase alpha chain	352 aa	315 aa	28.3 %
Babesia bovis	phenylalanine-tRNA ligase, putative	Phenylalanyl-tRNA synthetase alpha chain	352 aa	359 aa	24.8 %
Theileria parva	phenylalanyl-tRNA synthetase, putative	Phenylalanyl-tRNA synthetase alpha chain	352 aa	315 aa	24.4 %
Candida albicans	phenylalanine--tRNA ligase	Phenylalanyl-tRNA synthetase alpha chain	352 aa	314 aa	27.1 %
Onchocerca volvulus	Presenilins-associated rhomboid-like protein, mitochondrial homolog	Phenylalanyl-tRNA synthetase alpha chain	352 aa	396 aa	25.0 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0134	0.0279
Echinococcus granulosus	Niemann Pick C1 protein	0.0106	0.1149	0.2276
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.022	0.2227
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0146	0.143
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0536	0.1049
Onchocerca volvulus		0.0031	0.0282	0.5158
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0536	0.1402
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0536	0.1049
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.0602	0.6309
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0536	0.1049
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.022	0.183
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0036	0.0024
Trypanosoma brucei	phenylalanyl-tRNA synthetase alpha chain, putative	0.0088	0.0946	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0122	0.0219
Mycobacterium tuberculosis	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.0422	0.4794	1
Brugia malayi	Trypsin family protein	0.0053	0.0536	0.4611
Echinococcus multilocularis	sterol regulatory element binding protein	0.0045	0.045	0.0439
Schistosoma mansoni	hypothetical protein	0.0044	0.0432	0.084
Chlamydia trachomatis	phenylalanine--tRNA ligase subunit alpha	0.0422	0.4794	1
Echinococcus granulosus	expressed conserved protein	0.01	0.1075	0.2127
Loa Loa (eye worm)	hypothetical protein	0.0106	0.1149	0.3041
Leishmania major	GTP-binding protein, putative	0.0023	0.0189	0.1896
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0536	0.1402
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0122	0.0293
Plasmodium falciparum	phenylalanine--tRNA ligase alpha subunit	0.0088	0.0946	1
Brugia malayi	Trypsin family protein	0.0053	0.0536	0.4611
Onchocerca volvulus		0.0053	0.0536	1
Toxoplasma gondii	Ferredoxin-fold anticodon binding domain-containing protein	0.0026	0.0221	0.2238
Mycobacterium ulcerans	hypothetical protein	0.0026	0.022	0.0435
Schistosoma mansoni	cpg binding protein	0.0031	0.0282	0.0541
Echinococcus multilocularis	Niemann Pick C1 protein	0.0151	0.1674	0.1664
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0946	0.25
Echinococcus multilocularis	protein patched	0.0045	0.045	0.0439
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0146	0.0279
Mycobacterium ulcerans	hypothetical protein	0.0053	0.0536	0.1096
Loa Loa (eye worm)	trypsin family protein	0.0053	0.0536	0.1402
Mycobacterium leprae	Probable phenylalanyl-tRNA synthetase, alpha chain PheS	0.0063	0.0651	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0536	0.1402
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0026	0.0221	0.0419
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0284	0.2909
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0122	0.011
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0146	0.0304
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.022	0.183
Loa Loa (eye worm)	hypothetical protein	0.0026	0.022	0.0557
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0545	0.1426
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0053	0.0536	0.0525
Echinococcus multilocularis	protein dispatched 1	0.0052	0.0525	0.0513
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0012	0.006
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0007	0.0012	0.0025
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.022	0.3258
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0023	0.0189	0.1559
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0146	0.0357
Echinococcus multilocularis	cpg binding protein	0.0033	0.0303	0.0291
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0536	0.1049
Schistosoma mansoni	hypothetical protein	0.0044	0.0432	0.084
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0122	0.0963
Echinococcus multilocularis	snurportin 1	0.0331	0.375	0.3742
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0007	0.0012	0.0025
Schistosoma mansoni	cpg binding protein	0.0033	0.0303	0.0582
Brugia malayi	phenylalanyl-tRNA synthetase, mitochondrial precursor, putative	0.0026	0.0221	0.184
Trichomonas vaginalis	ran, putative	0.0023	0.0189	0.1945
Echinococcus granulosus	Protein patched homolog 1	0.0045	0.045	0.0878
Trypanosoma cruzi	phenylalanyl-tRNA synthetase alpha chain, putative	0.0088	0.0946	1
Schistosoma mansoni	hypothetical protein	0.0053	0.0536	0.1049
Schistosoma mansoni	hypothetical protein	0.0044	0.0432	0.084
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0122	0.0293
Echinococcus multilocularis	Niemann Pick C1 protein	0.0106	0.1149	0.1138
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0134	0.0279
Schistosoma mansoni	hypothetical protein	0.0053	0.0536	0.1049
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0331	0.375	1
Entamoeba histolytica	hypothetical protein	0.0025	0.0216	0.1795
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0053	0.0536	0.1049
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0536	0.0525
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0007	0.0012	0.0025
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0053	0.0536	0.4611
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0545	0.1426
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0282	0.0723
Plasmodium vivax	phenylalanine--tRNA ligase alpha subunit, putative	0.0088	0.0946	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0023	0.0189	0.0474
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.0216	0.223
Schistosoma mansoni	cpg binding protein	0.0033	0.0303	0.0582
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0026	0.0221	0.2238
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0536	0.1049
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.022	0.183
Echinococcus multilocularis	dnaJ subfamily B	0.044	0.5007	0.5001
Schistosoma mansoni	hypothetical protein	0.0017	0.0122	0.0219
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0023	0.0189	0.1896
Schistosoma mansoni	hypothetical protein	0.0331	0.375	0.7483
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0146	0.143
Onchocerca volvulus		0.0053	0.0536	1
Schistosoma mansoni	hypothetical protein	0.0037	0.0349	0.0674
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.022	0.0435
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0007	0.0012	0.0025
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0106	0.1149	1
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0536	0.1402
Trichomonas vaginalis	antibiotic synthetase, putative	0.0007	0.0012	0.006
Echinococcus multilocularis	enteropeptidase	0.0053	0.0536	0.0525
Echinococcus multilocularis	transmembrane protease serine 3	0.0053	0.0536	0.0525
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0008	0.0014	0.0004
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0545	0.4688
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0007	0.0012	0.0025
Onchocerca volvulus		0.0053	0.0536	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0045	0.045	0.1173
Echinococcus granulosus	phenylalanyl tRNA synthetase	0.0026	0.0221	0.0419
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0536	0.1049
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0349	0.2964
Echinococcus granulosus	phenylalanyl tRNA synthetase alpha chain B	0.0088	0.0946	0.187
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0008	0.0014	0.0004
Schistosoma mansoni	ran	0.0023	0.0189	0.0355
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0007	0.0012	0.0025
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0134	0.0279
Giardia lamblia	Phenylalanyl-tRNA synthetase alpha chain	0.0088	0.0946	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0536	0.1049
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0008	0.0014	0.0002
Echinococcus granulosus	glycoprotein Antigen 5	0.0053	0.0536	0.1049
Leishmania major	phenylalanyl-tRNA synthetase alpha chain, putative	0.0088	0.0946	1
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0122	0.011
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0216	0.223
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0536	0.1049
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0536	0.1402
Toxoplasma gondii	phenylalanyl-tRNA synthetase alpha chain A, putative	0.0088	0.0946	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0023	0.0189	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0045	0.045	0.1173
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0122	0.011
Loa Loa (eye worm)	phenylalanyl-tRNA synthetase	0.0026	0.0221	0.056
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.022	0.0459
Onchocerca volvulus		0.0053	0.0536	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.022	0.0435
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.022	0.0459
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0536	0.1049
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0014	0.0004
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0088	0.0946	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0134	0.0279
Entamoeba histolytica	Ran family GTPase	0.0023	0.0189	0.1559
Onchocerca volvulus		0.0053	0.0536	1
Entamoeba histolytica	phenylalanyl-tRNA synthetase alpha subunit, putative	0.0088	0.0946	0.822
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0284	0.2909
Echinococcus multilocularis	expressed conserved protein	0.01	0.1075	0.1064
Onchocerca volvulus		0.0053	0.0536	1
Echinococcus granulosus	Mastin	0.0053	0.0536	0.1049
Echinococcus granulosus	cpg binding protein	0.0033	0.0303	0.0582
Plasmodium falciparum	importin beta, putative	0.0031	0.0284	0.2909
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0536	0.1049
Brugia malayi	Trypsin family protein	0.0053	0.0536	0.4611
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.0216	0.2183
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0536	0.1049
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.022	0.0435
Brugia malayi	Importin beta-1 subunit	0.0031	0.0284	0.2391
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0536	0.1402
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0536	0.1049
Brugia malayi	RNA, U transporter 1	0.0088	0.0944	0.8201
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.0682	0.1342
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.022	0.0435
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0284	0.2909
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0284	0.0544
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0122	0.0219
Brugia malayi	CHE-14 protein	0.0045	0.045	0.3857
Schistosoma mansoni	importin beta-1	0.0031	0.0284	0.0544
Brugia malayi	phenylalanyl (f) trna synthetase protein 1	0.0088	0.0946	0.822
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0012	0.0025
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0536	0.1049
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0536	0.1049
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0146	0.0357
Loa Loa (eye worm)	hypothetical protein	0.0026	0.022	0.0557
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.022	0.0435
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.022	0.0435
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0053	0.0536	0.1049
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0569	0.1489
Brugia malayi	hypothetical protein	0.0053	0.0536	0.4611
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0012	0.0025
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0536	0.1049
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.045	0.4724
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0536	0.1049
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.022	0.0435
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0545	0.4688
Echinococcus granulosus	dnaJ subfamily B	0.044	0.5007	1
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0122	0.0963
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0007	0.0012	0.0025
Schistosoma mansoni	ran	0.0023	0.0189	0.0355
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0282	0.2378
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0023	0.0189	0.0177
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0012	0.0025
Brugia malayi	Trypsin family protein	0.0053	0.0536	0.4611
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0026	0.0221	0.2285
Echinococcus multilocularis	phenylalanyl tRNA synthetase alpha chain B	0.0088	0.0946	0.0935
Schistosoma mansoni	hypothetical protein	0.0017	0.0122	0.0219
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0284	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0146	0.0357
Echinococcus granulosus	enteropeptidase	0.0053	0.0536	0.1049
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.022	0.183
Echinococcus granulosus	sterol regulatory element binding protein	0.0045	0.045	0.0878
Loa Loa (eye worm)	histone methyltransferase	0.001	0.0036	0.0064
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.022	0.2227
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.022	0.183
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0008	0.0014	0.0002
Schistosoma mansoni	phenylalanyl-tRNA synthetase mitochondrial	0.0026	0.0221	0.0419
Echinococcus granulosus	snurportin 1	0.0331	0.375	0.7483
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0122	0.0219
Wolbachia endosymbiont of Brugia malayi	phenylalanyl-tRNA synthetase subunit alpha	0.0422	0.4794	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.022	0.2227
Echinococcus multilocularis	phenylalanyl tRNA synthetase	0.0026	0.0221	0.0209
Treponema pallidum	phenylalanyl-tRNA synthetase subunit alpha	0.0088	0.0946	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0284	0.0727
Loa Loa (eye worm)	hypothetical protein	0.0026	0.022	0.0557
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0023	0.0189	0.1896
Echinococcus granulosus	GPCR family 2	0.0017	0.0122	0.0219
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0108	0.1168	0.2313
Plasmodium vivax	phenylalanine--tRNA ligase, putative	0.0026	0.0221	0.2238
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0146	0.0357
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.0216	0.223
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0023	0.0189	0.1896
Leishmania major	importin beta-1 subunit, putative	0.0025	0.0216	0.2183
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0053	0.0536	0.1049
Echinococcus multilocularis	Mastin	0.0053	0.0536	0.0525
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0189	0.1896
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0536	0.1402
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0053	0.0536	0.1049
Brugia malayi	F/Y-rich N-terminus family protein	0.0009	0.0035	0.0198
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0349	0.0901
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0036	0.0048
Schistosoma mansoni	cercarial elastase (S01 family)	0.0053	0.0536	0.1049
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0284	0.2909
Echinococcus multilocularis	glycoprotein Antigen 5	0.0053	0.0536	0.0525
Schistosoma mansoni	hypothetical protein	0.0044	0.0432	0.084
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0007	0.0012	0.0025
Echinococcus granulosus	Niemann Pick C1 protein	0.0151	0.1674	0.3326
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.022	0.3258
Onchocerca volvulus		0.0026	0.022	0.397
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0023	0.0189	0.1896
Schistosoma mansoni	hypothetical protein	0.044	0.5007	1
Schistosoma mansoni	phenylalanyl-tRNA synthetase subunit alpha	0.0088	0.0946	0.187
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0026	0.0221	0.2238
Mycobacterium ulcerans	phenylalanyl-tRNA synthetase subunit alpha	0.0422	0.4794	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0146	0.0357
Trichomonas vaginalis	phenylalanyl-tRNA synthetase alpha chain, putative	0.0026	0.0221	0.2285
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0023	0.0189	0.1896
Echinococcus granulosus	transmembrane protease serine 3	0.0053	0.0536	0.1049
Schistosoma mansoni	patched 1	0.0045	0.045	0.0878
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.022	0.183
Schistosoma mansoni	hypothetical protein	0.0017	0.0122	0.0219
Plasmodium falciparum	phenylalanine--tRNA ligase	0.0026	0.0221	0.2238
Brugia malayi	Niemann-Pick C1 protein precursor	0.0106	0.1149	1
Brugia malayi	Trypsin-like protease protein 5	0.0053	0.0536	0.4611

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 120 nM	Inhibitory concentration against Staphylococcus aureus Phenylalanyl-tRNA synthetase	ChEMBL.	15837314
IC50 (binding)	= 120 nM	Inhibitory concentration against Staphylococcus aureus Phenylalanyl-tRNA synthetase	ChEMBL.	15837314
Inhibition (functional)	= 0 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 LDH activity, using an LDH reporter assay. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 0 %	GSK_TCMDC: Percent inhibition of human HepG2 cell line. Test compounds present at 10uM.	ChEMBL.	20485427
Inhibition (functional)	= 3.03 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmPfHT that are glucose transport deficient and complemented with the Plasmodium falciparum hexose transporter. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 3.26 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGT2 that are glucose transport deficient and complemented with the L. Mexicana glucose transporter 2. Activity is measured by by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 4.37 %	ST_JUDE_LEISH: Cytotoxicity at 2uM final concentration against transgenic Leishmania Mexicana promastigotes LmGLUT1 that are glucose transport deficient and complemented with the human glucose transporter GLUT1. Activity is measured by DNA content using SYBR green in vitro	ChEMBL.	No reference
Inhibition (functional)	= 79 %	GSK_TCMDC: Inhibition of Plasmodium falciparum Dd2 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition (functional)	= 94 %	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole red blood cells, using parasite LDH activity as an index of growth. Test compounds present at 2uM	ChEMBL.	20485427
Inhibition frequency index (IFI) (functional)	= 5.79	Inhibition Frequency Index (IFI)	GSK.	20485427
Percent growth inhibition (functional)	= -13 %	Percent inhibition of HepG2 growth (at 10 uM)	GSK.	20485427
Percent growth inhibition (functional)	= -4 %	Percent inhibition of P. falciparum lactate dehydrogenase activity (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 79 %	Percent inhibition of P. falciparum Dd2 growth (at 2 uM)	GSK.	20485427
Percent growth inhibition (functional)	= 94 %	Percent inhibition of P. falciparum 3D7 growth (at 2 uM)	GSK.	20485427
XC50 (functional)	= 5.96	XC50 determination of P. falciparum 3D7 growth	GSK.	20485427
XC50 (functional)	= 1.10527 uM	GSK_TCMDC: Inhibition of Plasmodium falciparum 3D7 in whole erythrocytes, using parasite LDH activity as an index of growth.	ChEMBL.	20485427

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: CHEMBL372515
Search by GSK
PubChem: 23647934

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 341139