TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 252.72 | Formula: C11H9ClN2OS
H donors: 1 H acceptors: 2 LogP: 3.08 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)n1nc2c(c1O)SCC2
InChi: 1S/C11H9ClN2OS/c12-7-1-3-8(4-2-7)14-11(15)10-9(13-14)5-6-16-10/h1-4,15H,5-6H2
InChiKey: ZNJIWTADQAGNCG-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
Staphylococcus aureus	UDP-N-acetylmuramate--L-alanine ligase	Starlite/ChEMBL	References
Staphylococcus aureus	UDP-N-acetylmuramate dehydrogenase	Starlite/ChEMBL	References
Staphylococcus aureus	UDP-N-acetylmuramoylalanine-D-glutamate ligase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylenolpyruvoylglucosamine reductase	Get druggable targets OG5_131886	All targets in OG5_131886
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramoylalanine-D-glutamate ligase	Get druggable targets OG5_132024	All targets in OG5_132024
Treponema pallidum	UDP-N-acetylmuramoylalanine--D-glutamate ligase (murD)	Get druggable targets OG5_132024	All targets in OG5_132024
Mycobacterium tuberculosis	Probable UDP-N-acetylmuramoylalanine-D-glutamate ligase MurD	Get druggable targets OG5_132024	All targets in OG5_132024
Treponema pallidum	UDP-N-acetylmuramate--L-alanine ligase	Get druggable targets OG5_132146	All targets in OG5_132146
Mycobacterium ulcerans	UDP-N-acetylmuramate--L-alanine ligase	Get druggable targets OG5_132146	All targets in OG5_132146
Chlamydia trachomatis	bifunctional UDP-N-acetylmuramate-alanine ligase/D-alanine-D-alanine ligase	Get druggable targets OG5_132146	All targets in OG5_132146
Mycobacterium tuberculosis	Probable UDP-N-acetylenolpyruvoylglucosamine reductase MurB (UDP-N-acetylmuramate dehydrogenase)	Get druggable targets OG5_131886	All targets in OG5_131886
Mycobacterium leprae	Probable UDP-N-acetylmuramoylalanine-D-glutamate ligase MurD	Get druggable targets OG5_132024	All targets in OG5_132024
Mycobacterium leprae	Probable UDP-N-acetylmuramate-alanine ligase MurC	Get druggable targets OG5_132146	All targets in OG5_132146
Chlamydia trachomatis	UDP-N-acetylenolpyruvoylglucosamine reductase	Get druggable targets OG5_131886	All targets in OG5_131886
Chlamydia trachomatis	UDP-N-acetylmuramoylalanine--D-glutamate ligase	Get druggable targets OG5_132024	All targets in OG5_132024
Mycobacterium ulcerans	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase	Get druggable targets OG5_132024	All targets in OG5_132024
Treponema pallidum	UDP-N-acetylenolpyruvoylglucosamine reductase	Get druggable targets OG5_131886	All targets in OG5_131886
Mycobacterium ulcerans	UDP-N-acetylenolpyruvoylglucosamine reductase	Get druggable targets OG5_131886	All targets in OG5_131886
Mycobacterium leprae	PROBABLE UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE MURB (UDP-N-ACETYLMURAMATE DEHYDROGENASE)	Get druggable targets OG5_131886	All targets in OG5_131886
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramate-alanine ligase	Get druggable targets OG5_132146	All targets in OG5_132146
Mycobacterium tuberculosis	Probable UDP-N-acetylmuramate-alanine ligase MurC	Get druggable targets OG5_132146	All targets in OG5_132146

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium ulcerans	UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	UDP-N-acetylmuramoylalanine-D-glutamate ligase	449 aa	366 aa	20.2 %
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramyl pentapeptide synthase	UDP-N-acetylmuramoylalanine-D-glutamate ligase	449 aa	368 aa	23.4 %
Mycobacterium leprae	ProbableUDP-N-acetylmuramoylalanyl-D-glutamate-2,6-diaminopimelate ligase MurE	UDP-N-acetylmuramate--L-alanine ligase	437 aa	381 aa	21.0 %
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramyl tripeptide synthase	UDP-N-acetylmuramate--L-alanine ligase	437 aa	401 aa	23.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.02	0.02
Echinococcus multilocularis	lamin	0.0028	0.02	0.02
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.006	0.0644	0.0644
Echinococcus multilocularis	6 phosphofructokinase	0.0113	0.1387	0.1387
Onchocerca volvulus		0.0111	0.1356	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.02	0.0563
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0111	0.1356	0.4199
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.006	0.0644	0.0644
Mycobacterium ulcerans	6-phosphofructokinase	0.0113	0.1387	0.1238
Loa Loa (eye worm)	hypothetical protein	0.0028	0.02	0.02
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1356	0.1356
Onchocerca volvulus		0.0111	0.1356	1
Treponema pallidum	UDP-N-acetylenolpyruvoylglucosamine reductase	0.0643	0.874	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0111	0.1356	0.118
Mycobacterium ulcerans	UDP-N-acetylmuramate--L-alanine ligase	0.0532	0.7196	0.816
Brugia malayi	hypothetical protein	0.0111	0.1356	0.4199
Mycobacterium ulcerans	UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase	0.0316	0.4199	0.4588
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0111	0.1356	0.118
Mycobacterium ulcerans	UDP-N-acetylmuramyl tripeptide synthase	0.0074	0.0845	0.0591
Brugia malayi	follicle stimulating hormone receptor	0.0244	0.3201	1
Toxoplasma gondii	hypothetical protein	0.0111	0.1356	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0038	0.0342	0.0342
Mycobacterium tuberculosis	Probable UDP-N-acetylmuramate-alanine ligase MurC	0.0216	0.2811	0.2982
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0111	0.1356	0.1356
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramate-alanine ligase	0.0532	0.7196	0.816
Leishmania major	folylpolyglutamate synthetase	0.0074	0.0845	0.4775
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.02	0.02
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0111	0.1356	0.1356
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1356	0.1356
Trichomonas vaginalis	phosphofructokinase, putative	0.0113	0.1387	1
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0111	0.1356	0.1356
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1356	0.1356
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0348	0.0954
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramyl pentapeptide synthase	0.0316	0.4199	0.4588
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.006	0.0644	0.0416
Brugia malayi	Cytochrome P450 family protein	0.0051	0.052	0.157
Plasmodium vivax	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0074	0.0845	0.5421
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.006	0.0644	0.2847
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0111	0.1356	1
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramyl tripeptide synthase	0.0224	0.2921	0.3065
Mycobacterium leprae	PROBABLE UDP-N-ACETYLENOLPYRUVOYLGLUCOSAMINE REDUCTASE MURB (UDP-N-ACETYLMURAMATE DEHYDROGENASE)	0.0643	0.874	1
Echinococcus granulosus	folylpolyglutamate synthase mitochondrial	0.0074	0.0845	0.0845
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0111	0.1356	0.118
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0348	0.0152
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0111	0.1356	1
Echinococcus granulosus	serotonin transporter	0.0111	0.1356	0.1356
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0193	0.0193
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0111	0.1356	0.118
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1356	0.1356
Echinococcus granulosus	sodium and chloride dependent glycine	0.0111	0.1356	0.1356
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0348	0.0954
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.0588	0.0588
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.006	0.0644	0.0352
Treponema pallidum	sodium- and chloride- dependent transporter	0.0111	0.1356	0.1314
Mycobacterium leprae	Probable UDP-N-acetylmuramate-alanine ligase MurC	0.0216	0.2811	0.2982
Trichomonas vaginalis	phosphofructokinase, putative	0.0113	0.1387	1
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0111	0.1356	0.1356
Trypanosoma cruzi	ATP-dependent 6-phosphofructokinase, glycosomal	0.0113	0.1387	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0244	0.3201	0.3201
Loa Loa (eye worm)	cytochrome P450 family protein	0.0051	0.052	0.052
Loa Loa (eye worm)	norepinephrine transporter	0.0111	0.1356	0.1356
Brugia malayi	FolC bifunctional protein	0.0074	0.0845	0.2591
Plasmodium vivax	amine transporter, putative	0.0111	0.1356	1
Echinococcus multilocularis	lamin dm0	0.0028	0.02	0.02
Trichomonas vaginalis	phosphofructokinase, putative	0.0113	0.1387	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.006	0.0644	0.1961
Chlamydia trachomatis	UDP-N-acetylmuramoylalanine--D-glutamate ligase	0.0512	0.6918	0.7856
Schistosoma mansoni	sodium/chloride dependent transporter	0.0111	0.1356	0.118
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0111	0.1356	0.4199
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylenolpyruvoylglucosamine reductase	0.0643	0.874	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0111	0.1356	0.118
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0272	0.0272
Mycobacterium leprae	ProbableUDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	0.0316	0.4199	0.4624
Plasmodium falciparum	transporter, putative	0.0111	0.1356	1
Trypanosoma brucei	ATP-dependent 6-phosphofructokinase, glycosomal	0.0113	0.1387	1
Treponema pallidum	UDP-N-acetylmuramate--L-alanine ligase	0.0532	0.7196	0.8184
Trypanosoma cruzi	folylpolyglutamate synthetase	0.0074	0.0845	0.4775
Echinococcus granulosus	lamin	0.0028	0.02	0.02
Echinococcus multilocularis	serotonin transporter	0.0111	0.1356	0.1356
Echinococcus granulosus	6 phosphofructokinase	0.0113	0.1387	0.1387
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.006	0.0644	0.0454
Loa Loa (eye worm)	serotonin transporter b	0.0111	0.1356	0.1356
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0074	0.0845	0.0845
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0111	0.1356	0.118
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.002	0.002
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0111	0.1356	0.1356
Onchocerca volvulus	Putative folylpolyglutamate synthase	0.0074	0.0845	0.5576
Mycobacterium tuberculosis	Possible ligase	0.0074	0.0845	0.0654
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0348	0.0348
Echinococcus granulosus	lamin dm0	0.0028	0.02	0.02
Chlamydia trachomatis	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase	0.0224	0.2921	0.3155
Onchocerca volvulus		0.0111	0.1356	1
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0111	0.1356	0.118
Toxoplasma gondii	hypothetical protein	0.0111	0.1356	1
Entamoeba histolytica	phosphofructokinase, putative	0.0113	0.1387	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0111	0.1356	0.118
Echinococcus granulosus	intermediate filament protein	0.0028	0.02	0.02
Mycobacterium leprae	Probable UDP-N-acetylmuramoylalanine-D-glutamate ligase MurD	0.0288	0.3811	0.4165
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1356	0.1356
Echinococcus granulosus	sodium and chloride dependent glycine	0.0111	0.1356	0.1356
Treponema pallidum	folylpolyglutamate synthetase (folC)	0.0224	0.2921	0.3155
Plasmodium falciparum	amino acid transporter, putative	0.0111	0.1356	1
Plasmodium vivax	hypothetical protein, conserved	0.0111	0.1356	1
Trypanosoma brucei	folylpolyglutamate synthase, putative	0.0074	0.0845	0.4775
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0111	0.1356	0.1356
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0111	0.1356	0.1356
Loa Loa (eye worm)	FolC protein	0.0074	0.0845	0.0845
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0348	0.0954
Mycobacterium leprae	PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE)	0.0113	0.1387	0.1296
Brugia malayi	6-phosphofructokinase	0.0113	0.1387	0.4297
Entamoeba histolytica	phosphofructokinase, putative	0.0113	0.1387	1
Echinococcus multilocularis	folylpolyglutamate synthase, mitochondrial	0.0074	0.0845	0.0845
Schistosoma mansoni	6-phosphofructokinase	0.0113	0.1387	0.1212
Brugia malayi	Inositol-1	0.0039	0.0348	0.1031
Brugia malayi	intermediate filament protein	0.0028	0.02	0.0563
Echinococcus granulosus	folylpolyglutamate synthase, mitochondrial	0.0074	0.0845	0.0845
Trichomonas vaginalis	dihydrofolate synthase/folylpolyglutamate synthase, putative	0.0074	0.0845	0.5274
Schistosoma mansoni	folylpolyglutamate synthase	0.0074	0.0845	0.0658
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0734	1	1
Mycobacterium tuberculosis	Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS)	0.0224	0.2921	0.3111
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0111	0.1356	0.1356
Brugia malayi	hypothetical protein	0.0127	0.1576	0.489
Treponema pallidum	UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase (murE)	0.0316	0.4199	0.4658
Loa Loa (eye worm)	hypothetical protein	0.0331	0.4406	0.4406
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.006	0.0644	0.0352
Entamoeba histolytica	phosphofructokinase, putative	0.0113	0.1387	1
Loa Loa (eye worm)	inositol-1	0.0039	0.0348	0.0348
Loa Loa (eye worm)	hypothetical protein	0.0734	1	1
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0111	0.1356	0.1356
Mycobacterium ulcerans	UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	0.0316	0.4199	0.4588
Treponema pallidum	diphosphate--fructose-6-phosphate 1-phosphotransferase	0.0113	0.1387	0.1351
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0036	0.0307	0.0593
Loa Loa (eye worm)	phosphofructokinase	0.0113	0.1387	0.1387
Treponema pallidum	UDP-N-acetylmuramoylalanine--D-glutamate ligase (murD)	0.0512	0.6918	0.7856
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.039	0.0194
Brugia malayi	6-phosphofructokinase	0.0113	0.1387	0.4297
Mycobacterium ulcerans	UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase	0.0512	0.6918	0.7828
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0038	0.0342	0.0342
Trypanosoma cruzi	folylpolyglutamate synthase, putative	0.0074	0.0845	0.4775
Chlamydia trachomatis	UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminoligase	0.0316	0.4199	0.4658
Mycobacterium tuberculosis	Probable UDP-N-acetylenolpyruvoylglucosamine reductase MurB (UDP-N-acetylmuramate dehydrogenase)	0.0643	0.874	1
Leishmania major	ATP-dependent phosphofructokinase	0.0113	0.1387	1
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1356	0.1356
Plasmodium falciparum	dihydrofolate synthase/folylpolyglutamate synthase	0.0074	0.0845	0.5421
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1356	0.1356
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0348	0.0348
Wolbachia endosymbiont of Brugia malayi	UDP-N-acetylmuramoylalanine-D-glutamate ligase	0.0362	0.4841	0.5354
Giardia lamblia	Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit	0.0031	0.0239	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0111	0.1356	0.4199
Toxoplasma gondii	bifunctional protein FolC subfamily protein	0.0074	0.0845	0.5421
Echinococcus multilocularis	musashi	0.0028	0.02	0.02
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0111	0.1356	0.1356
Mycobacterium tuberculosis	Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase)	0.0113	0.1387	0.1296
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0348	0.0954
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0348	0.0981
Treponema pallidum	UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanine ligase (murF)	0.0316	0.4199	0.4658
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0038	0.0342	0.0342
Chlamydia trachomatis	bifunctional UDP-N-acetylmuramate-alanine ligase/D-alanine-D-alanine ligase	0.0532	0.7196	0.8184
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0111	0.1356	1
Mycobacterium leprae	possible ligase	0.0074	0.0845	0.0654
Chlamydia trachomatis	UDP-N-acetylenolpyruvoylglucosamine reductase	0.0643	0.874	1
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0111	0.1356	0.118
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.039	0.0194
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0111	0.1356	0.4199
Mycobacterium ulcerans	UDP-N-acetylenolpyruvoylglucosamine reductase	0.0643	0.874	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0734	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0038	0.0342	0.101
Loa Loa (eye worm)	6-phosphofructokinase	0.0113	0.1387	0.1387
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0734	1	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0734	1	1
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0111	0.1356	0.1314
Mycobacterium ulcerans	folylpolyglutamate synthase protein FolC	0.0224	0.2921	0.3065
Mycobacterium tuberculosis	Probable UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF	0.0316	0.4199	0.4624
Loa Loa (eye worm)	6-phosphofructokinase	0.0113	0.1387	0.1387
Trichomonas vaginalis	phosphofructokinase, putative	0.0113	0.1387	1
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0348	0.0152
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0036	0.0307	0.0593
Mycobacterium tuberculosis	Probable UDP-N-acetylmuramoylalanine-D-glutamate ligase MurD	0.0288	0.3811	0.4165
Onchocerca volvulus		0.0111	0.1356	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0111	0.1356	0.4199
Brugia malayi	phosphofructokinase	0.0113	0.1387	0.4297
Mycobacterium leprae	PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS)	0.0224	0.2921	0.3111
Loa Loa (eye worm)	hypothetical protein	0.0734	1	1
Schistosoma mansoni	6-phosphofructokinase	0.0113	0.1387	0.1212
Loa Loa (eye worm)	hypothetical protein	0.0111	0.1356	0.1356

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 7.1 ug ml-1	In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase	ChEMBL.	12852973
IC50 (binding)	= 7.1 ug ml-1	In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramate dehydrogenase	ChEMBL.	12852973
IC50 (binding)	= 10.1 ug ml-1	In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase	ChEMBL.	12852973
IC50 (binding)	= 10.1 ug ml-1	In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanine synthetase	ChEMBL.	12852973
IC50 (binding)	= 11.5 ug ml-1	In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase	ChEMBL.	12852973
IC50 (binding)	= 11.5 ug ml-1	In vitro inhibitory activity against Staphylococcus aureus UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase	ChEMBL.	12852973
logP (ADMET)	= 3.06	Partition coefficient (logP)	ChEMBL.	12852973
MIC (functional)	= 1 ug ml-1	Minimum inhibitory activity against Staphylococcus pneumoniae GC1894 (PRSP)	ChEMBL.	12852973
MIC (functional)	= 2 ug ml-1	Minimum inhibitory activity against Staphylococcus aureus GC 4543 (MSSA)	ChEMBL.	12852973
MIC (functional)	= 2 ug ml-1	Minimum inhibitory activity against Staphylococcus aureus GC 2216 (ATCC)	ChEMBL.	12852973
MIC (functional)	= 4 ug ml-1	Minimum inhibitory activity against MSCNS GC 646	ChEMBL.	12852973
MIC (functional)	= 16 ug ml-1	Minimum inhibitory activity against Staphylococcus aureus GC 1131 (MRSA)	ChEMBL.	12852973
MIC (functional)	= 16 ug ml-1	Minimum inhibitory activity against Enterococcus faecalis GC 4555 (ATCC)	ChEMBL.	12852973
MIC (functional)	= 16 ug ml-1	Minimum inhibitory activity against Enterococcus faecalis GC 2242 (VRE)	ChEMBL.	12852973
MIC (functional)	> 128 ug ml-1	Minimum inhibitory activity in presence of 4% bovine serum albumin against Staphylococcus pneumoniae GC1894 (PRSP)	ChEMBL.	12852973
MIC (functional)	> 128 ug ml-1	Minimum inhibitory activity against Escherichia coli GC 4559	ChEMBL.	12852973
MIC (functional)	> 128 ug ml-1	Minimum inhibitory activity against Escherichia coli GC 4560	ChEMBL.	12852973
MIC (functional)	> 128 ug ml-1	Minimum inhibitory activity against Escherichia coli GC 4559	ChEMBL.	12852973
MIC (functional)	> 128 ug ml-1	Minimum inhibitory activity against Escherichia coli GC 4560	ChEMBL.	12852973

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: CHEMBL85772

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 141070