TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 525.428 | Formula: C21H18Cl2N4O4S2
H donors: 0 H acceptors: 4 LogP: 4.62 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: S=C(N1CCN(CC1)c1ccc(c(c1)Cl)Cl)SCCN1C(=O)C(=O)c2c1ccc(c2)[N+](=O)[O-]
InChi: 1S/C21H18Cl2N4O4S2/c22-16-3-1-13(12-17(16)23)24-5-7-25(8-6-24)21(32)33-10-9-26-18-4-2-14(27(30)31)11-15(18)19(28)20(26)29/h1-4,11-12H,5-10H2
InChiKey: RHFIWHOCSGMWDS-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

No druggable targets predicted by sequence similarity

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0043	0.0046	0.0046
Mycobacterium ulcerans	phosphoglyceromutase	0.0092	0.0136	0.023
Leishmania major	hypothetical protein, unknown function	0.0092	0.0136	0.0136
Trichomonas vaginalis	conserved hypothetical protein	0.004	0.004	0.2941
Schistosoma mansoni	hypothetical protein	0.0092	0.0136	0.0136
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0092	0.0136	0.0136
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0133	0.021	0.021
Mycobacterium leprae	conserved hypothetical protein	0.0092	0.0136	1
Mycobacterium ulcerans	hypothetical protein	0.0092	0.0136	0.023
Echinococcus granulosus	phosphoglycerate mutase	0.0092	0.0136	0.0136
Brugia malayi	beta-lactamase family protein	0.0033	0.0027	0.0682
Mycobacterium ulcerans	lipase LipD	0.0033	0.0027	0.0046
Loa Loa (eye worm)	beta-lactamase	0.0033	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0136	0.0136
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0092	0.0136	0.0136
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0092	0.0136	1
Brugia malayi	beta-lactamase	0.0033	0.0027	0.0682
Mycobacterium ulcerans	hydrolase MutT1	0.0092	0.0136	0.023
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0076	0.0076
Echinococcus granulosus	sterol regulatory element binding protein	0.004	0.004	0.004
Mycobacterium ulcerans	phosphohistidine phosphatase SixA	0.0092	0.0136	0.023
Mycobacterium tuberculosis	Conserved protein	0.0092	0.0136	0.3838
Leishmania major	phosphoglycerate mutase, putative	0.0092	0.0136	0.0136
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0092	0.0136	1
Loa Loa (eye worm)	phosphoglycerate mutase	0.0092	0.0136	0.0136
Leishmania major	phosphoglycerate mutase protein, putative	0.0092	0.0136	0.0136
Schistosoma mansoni	hypothetical protein	0.0092	0.0136	0.0136
Schistosoma mansoni	phosphoglycerate mutase	0.0092	0.0136	0.0136
Mycobacterium ulcerans	beta-lactamase	0.0033	0.0027	0.0046
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0027	0.0761
Brugia malayi	Niemann-Pick C1 protein precursor	0.0093	0.0138	0.3495
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0092	0.0136	1
Loa Loa (eye worm)	acetyltransferase	0.0133	0.021	0.021
Trypanosoma brucei	hypothetical protein, conserved	0.0033	0.0027	0.0027
Giardia lamblia	Hypothetical protein	0.3218	0.5888	1
Toxoplasma gondii	phosphoglycerate mutase	0.0092	0.0136	1
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0092	0.0136	0.0136
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0092	0.0136	0.0136
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0076	0.0076
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0092	0.0136	0.0136
Schistosoma mansoni	hypothetical protein	0.0039	0.0037	0.0037
Treponema pallidum	phosphoglyceromutase	0.0092	0.0136	1
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0092	0.0136	0.3838
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0092	0.0136	1
Brugia malayi	beta-lactamase family protein	0.0033	0.0027	0.0682
Echinococcus granulosus	phosphoglycerate mutase	0.0092	0.0136	0.0136
Trichomonas vaginalis	penicillin-binding protein, putative	0.0033	0.0027	0.1982
Loa Loa (eye worm)	hypothetical protein	0.0233	0.0394	0.0394
Brugia malayi	CHE-14 protein	0.004	0.004	0.1012
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0092	0.0136	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.3218	0.5888	1
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0092	0.0136	0.0136
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0092	0.0136	0.0136
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0027	0.1982
Leishmania major	glycerolphosphate mutase, putative	0.0092	0.0136	0.0136
Mycobacterium leprae	conserved hypothetical protein	0.0092	0.0136	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0043	0.0046	0.0046
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0027	0.0761
Leishmania major	hypothetical protein, conserved	0.0092	0.0136	0.0136
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0043	0.0046	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0093	0.0138	0.0138
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0043	0.0046	0.0046
Mycobacterium ulcerans	esterase/lipase LipP	0.0033	0.0027	0.0046
Echinococcus multilocularis	phosphoglycerate mutase	0.0092	0.0136	0.0136
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0092	0.0136	1
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0076	0.0076
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0027	0.0027
Mycobacterium tuberculosis	Conserved protein	0.0092	0.0136	0.3838
Mycobacterium ulcerans	hypothetical protein	0.0033	0.0027	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0027	0.0027
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0043	0.0046	0.0046
Loa Loa (eye worm)	hypothetical protein	0.536	0.9831	0.9831
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0092	0.0136	0.0136
Mycobacterium leprae	conserved hypothetical protein	0.0092	0.0136	1
Mycobacterium leprae	probable isochorismate synthase EntC	0.0092	0.0136	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0092	0.0136	0.3838
Leishmania major	hypothetical protein, conserved	0.0092	0.0136	0.0136
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0092	0.0136	0.0136
Onchocerca volvulus	Protein UBASH3A homolog	0.0092	0.0136	0.0109
Onchocerca volvulus		0.0092	0.0136	0.0109
Echinococcus multilocularis	phosphoglycerate mutase	0.0092	0.0136	0.0136
Schistosoma mansoni	6-phosphofructokinase	0.5452	1	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0133	0.0211	0.0211
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0027	0.1982
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0054	0.1359
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0033	0.0027	0.0027
Entamoeba histolytica	phosphoglycerate mutase family protein. putative	0.0092	0.0136	0.023
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0033	0.0027	0.0027
Mycobacterium ulcerans	acid phosphatase	0.0092	0.0136	0.023
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0092	0.0136	0.3838
Mycobacterium ulcerans	hypothetical protein	0.0092	0.0136	0.023
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0092	0.0136	0.3838
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0033	0.0027	0.0761
Onchocerca volvulus		0.5452	1	1
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0092	0.0136	1
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.5452	1	1
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0092	0.0136	0.0136
Schistosoma mansoni	hypothetical protein	0.0092	0.0136	0.0136
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0033	0.0027	0.0761
Echinococcus granulosus	beta LACTamase domain containing family member	0.0033	0.0027	0.0027
Echinococcus multilocularis	phosphoglycerate mutase	0.0092	0.0136	0.0136
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0129	0.0203	0.0203
Echinococcus granulosus	Niemann Pick C1 protein	0.0093	0.0138	0.0138
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0092	0.0136	0.0136
Schistosoma mansoni	hypothetical protein	0.0047	0.0054	0.0054
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0076	0.0129
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0092	0.0136	0.3838
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.004	0.004	0.004
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0054	0.0054
Onchocerca volvulus	Protein UBASH3A homolog	0.0092	0.0136	0.0109
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0076	0.5617
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0092	0.0136	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0076	0.0076
Plasmodium falciparum	histone acetyltransferase GCN5	0.0036	0.0032	0.2362
Echinococcus multilocularis	protein patched	0.004	0.004	0.004
Echinococcus granulosus	expressed conserved protein	0.0088	0.0127	0.0127
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0018	0	0.5
Echinococcus multilocularis	Niemann Pick C1 protein	0.0093	0.0138	0.0138
Mycobacterium ulcerans	phosphoglycerate mutase	0.0092	0.0136	0.023
Echinococcus multilocularis	Niemann Pick C1 protein	0.0133	0.0211	0.0211
Plasmodium vivax	hypothetical protein, conserved	0.0033	0.0027	0.1982
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0092	0.0136	0.0136
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0043	0.0046	0.0046
Schistosoma mansoni	hypothetical protein	0.0039	0.0037	0.0037
Onchocerca volvulus		0.0092	0.0136	0.0109
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0039	0.0038	0.2803
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.536	0.9831	0.9831
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0092	0.0136	0.0136
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0043	0.0046	0.0046
Giardia lamblia	Histone acetyltransferase GCN5	0.0036	0.0032	0.0054
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0076	0.0129
Plasmodium falciparum	phosphoglucomutase-2	0.0092	0.0136	1
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0092	0.0136	0.0136
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0092	0.0136	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0136	0.0136
Brugia malayi	phosphoglycerate mutase family protein	0.0092	0.0136	0.344
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0092	0.0136	0.0136
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0039	0.0038	0.2803
Schistosoma mansoni	hypothetical protein	0.0039	0.0037	0.0037
Giardia lamblia	Hypothetical protein	0.3218	0.5888	1
Brugia malayi	follicle stimulating hormone receptor	0.0228	0.0386	0.9777
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2327	0.4248	0.4248
Echinococcus multilocularis	phosphoglycerate mutase	0.0092	0.0136	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0136	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0027	0.0027
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0092	0.0136	0.0136
Entamoeba histolytica	acetyltransferase, GNAT family	0.0036	0.0032	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.3126	0.5719	0.5719
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0092	0.0136	0.0136
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0039	0.0038	0.2803
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0092	0.0136	0.0136
Mycobacterium tuberculosis	Probable esterase LipL	0.0033	0.0027	0.0761
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0033	0.0027	0.0027
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0033	0.0027	0.0046
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0039	0.0038	0.2803
Onchocerca volvulus	Protein UBASH3A homolog	0.0092	0.0136	0.0109
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.1566	0.2847	0.2847
Mycobacterium tuberculosis	Probable lipase LipD	0.0033	0.0027	0.0761
Mycobacterium ulcerans	phosphoglycerate mutase	0.0092	0.0136	0.023
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0076	0.0129
Mycobacterium tuberculosis	Conserved protein	0.0033	0.0027	0.0761
Echinococcus multilocularis	expressed conserved protein	0.0088	0.0127	0.0127
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0092	0.0136	0.0136
Onchocerca volvulus		0.0047	0.0054	0.0027
Echinococcus granulosus	phosphoglycerate mutase	0.0092	0.0136	0.0136
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0043	0.0046	0.1166
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0133	0.021	0.021
Mycobacterium tuberculosis	Probable lipase LipE	0.0033	0.0027	0.0761
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.5452	1	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0027	0.0027
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0092	0.0136	0.023
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.3218	0.5888	1
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.536	0.9831	0.9831
Onchocerca volvulus		0.0092	0.0136	0.0109
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0092	0.0136	1
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0092	0.0136	0.0136
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0056	0.0056
Leishmania major	hypothetical protein, conserved	0.0092	0.0136	0.0136
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2327	0.4248	0.4248
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0093	0.0138	0.0234
Trichomonas vaginalis	conserved hypothetical protein	0.0092	0.0136	1
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0092	0.0136	0.0136
Brugia malayi	UBASH3A protein homolog	0.0092	0.0136	0.344
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0033	0.0027	0.0682
Brugia malayi	hypothetical protein	0.0233	0.0394	1
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.536	0.9831	0.9831
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.2327	0.4248	0.4248
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0092	0.0136	0.0136
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0039	0.0038	0.0038
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0076	0.0076
Echinococcus granulosus	phosphoglycerate mutase	0.0092	0.0136	0.0136
Schistosoma mansoni	hypothetical protein	0.0092	0.0136	0.0136
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0092	0.0136	1
Mycobacterium tuberculosis	Probable hydrolase	0.0033	0.0027	0.0761
Onchocerca volvulus	Protein UBASH3A homolog	0.0092	0.0136	0.0109
Echinococcus multilocularis	protein dispatched 1	0.0046	0.005	0.005
Echinococcus granulosus	survival motor neuron protein 1	0.0233	0.0394	0.0394
Mycobacterium ulcerans	bifunctional RNase H/acid phosphatase	0.0092	0.0136	0.023
Schistosoma mansoni	phosphoglycerate mutase	0.0092	0.0136	0.0136
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0228	0.0386	0.0386
Echinococcus granulosus	Protein patched homolog 1	0.004	0.004	0.004
Loa Loa (eye worm)	hypothetical protein	0.0092	0.0136	0.0136
Trichomonas vaginalis	esterase, putative	0.0033	0.0027	0.1982
Trypanosoma cruzi	hypothetical protein, conserved	0.0033	0.0027	0.0027
Echinococcus multilocularis	survival motor neuron protein 1	0.0233	0.0394	0.0394
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0092	0.0136	0.3838
Echinococcus multilocularis	sterol regulatory element binding protein	0.004	0.004	0.004
Schistosoma mansoni	hypothetical protein	0.0092	0.0136	0.0136
Brugia malayi	phosphoglycerate mutase family protein	0.0092	0.0136	0.344
Echinococcus multilocularis	phosphoglycerate mutase	0.0092	0.0136	0.0136
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0092	0.0136	1
Schistosoma mansoni	hypothetical protein	0.0092	0.0136	0.0136
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0039	0.0038	0.2803
Echinococcus granulosus	phosphoglycerate mutase	0.0092	0.0136	0.0136
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.5452	1	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.004	0.004
Toxoplasma gondii	ABC1 family protein	0.0033	0.0027	0.1982
Schistosoma mansoni	patched 1	0.004	0.004	0.004
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0092	0.0136	0.0136
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0092	0.0136	1
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0092	0.0136	0.0136
Mycobacterium ulcerans	hypothetical protein	0.3218	0.5888	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0043	0.0046	0.0046
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0092	0.0136	0.0136
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0092	0.0136	1
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0092	0.0136	0.0136
Trichomonas vaginalis	D-aminoacylase, putative	0.0033	0.0027	0.1982
Trichomonas vaginalis	penicillin-binding protein, putative	0.0033	0.0027	0.1982
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.5452	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0092	0.0136	1
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0092	0.0136	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.5452	1	1
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0092	0.0136	0.5
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0092	0.0136	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0092	0.0136	0.0136
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0092	0.0136	0.0136
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0092	0.0136	0.0136
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0076	0.2156
Plasmodium vivax	phosphoglycerate mutase, putative	0.0092	0.0136	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0033	0.0027	0.0761
Leishmania major	hypothetical protein, conserved	0.0033	0.0027	0.0027
Loa Loa (eye worm)	hypothetical protein	0.5452	1	1
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0092	0.0136	1
Schistosoma mansoni	hypothetical protein	0.0039	0.0037	0.0037
Brugia malayi	acetyltransferase, GNAT family protein	0.0133	0.021	0.5332
Plasmodium vivax	phosphoglucomutase-2, putative	0.0092	0.0136	1
Mycobacterium ulcerans	lipoprotein LpqD	0.0092	0.0136	0.023
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0027	0.0027
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2327	0.4248	0.4248
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0092	0.0136	0.023
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.536	0.9831	0.9831
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.021	0.0353	1
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0092	0.0136	0.3838
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0027	0.0027
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0095	0.014	0.014

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (functional)	= 99 %	Antitubercular activity against Mycobacterium tuberculosis H37Rv MTCC 200 assessed as growth inhibition at MIC by L.J. MIC method	ChEMBL.	No reference
Inhibition (functional)	= 99 %	Antitubercular activity against Mycobacterium tuberculosis H37Rv MTCC 200 assessed as growth inhibition at 6.25 ug/ml by BACTEC MGIT method	ChEMBL.	No reference
MIC (functional)	= 0.072 ug ml-1	Antimalarial activity against chloroquine-sensitive Plasmodium falciparum 3D7 assessed as inhibition of complete maturation into schizonts after 40 hr	ChEMBL.	No reference
MIC (functional)	= 6.25 ug ml-1	Antitubercular activity against Mycobacterium tuberculosis H37Rv MTCC 200 assessed as growth inhibition by L.J. MIC method	ChEMBL.	No reference
MIC (functional)	= 6.25 ug ml-1	Antitubercular activity against Mycobacterium tuberculosis H37Rv MTCC 200 assessed as growth inhibition by BACTEC MGIT method	ChEMBL.	No reference
MIC99 (functional)	= 100 ug ml-1	Antimicrobial activity against Candida albicans MTCC 227 assessed as growth inhibition by broth microdilution method	ChEMBL.	No reference
MIC99 (functional)	= 100 ug ml-1	Antimicrobial activity against Escherichia coli MTCC 443 assessed as growth inhibition by broth microdilution method	ChEMBL.	No reference

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: CHEMBL2299171

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1790136