TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 413.381 | Formula: C21H30Cl2N2O2
H donors: 1 H acceptors: 1 LogP: 6.23 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C1CCCCCCCCCC/C(=N\OCc2ccc(cc2Cl)Cl)/CCN1
InChi: 1S/C21H30Cl2N2O2/c22-18-12-11-17(20(23)15-18)16-27-25-19-9-7-5-3-1-2-4-6-8-10-21(26)24-14-13-19/h11-12,15H,1-10,13-14,16H2,(H,24,26)/b25-19+
InChiKey: GPHRGZVVHJUVID-NCELDCMTSA-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
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.1636	0.5844	1
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0047	0.003	0.5
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0047	0.003	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0053	0.0053
Schistosoma mansoni	hypothetical protein	0.0047	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.1589	0.5673	0.5673
Schistosoma mansoni	phosphoglycerate mutase	0.0047	0.003	0.003
Schistosoma mansoni	alpha-glucosidase	0.015	0.0407	0.0407
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0047	0.003	0.0051
Loa Loa (eye worm)	hypothetical protein	0.1679	0.6004	0.6004
Plasmodium vivax	phosphoglycerate mutase, putative	0.0047	0.003	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0047	0.003	0.5
Echinococcus multilocularis	phosphoglycerate mutase	0.0047	0.003	0.003
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0047	0.003	0.003
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0047	0.003	0.5
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0047	0.003	0.003
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2725	0.9829	0.9829
Loa Loa (eye worm)	hypothetical protein	0.0047	0.003	0.003
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0047	0.003	0.003
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0047	0.003	0.5
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0047	0.003	0.003
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2771	1	1
Schistosoma mansoni	hypothetical protein	0.0047	0.003	0.003
Loa Loa (eye worm)	TKL/MLK/LZK protein kinase	0.1679	0.6004	0.6004
Echinococcus granulosus	phosphoglycerate mutase	0.0047	0.003	0.003
Brugia malayi	UBASH3A protein homolog	0.0047	0.003	0.0049
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0047	0.003	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0047	0.003	0.003
Toxoplasma gondii	phosphoglycerate mutase	0.0047	0.003	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0053	0.0053
Mycobacterium ulcerans	hypothetical protein	0.1636	0.5844	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0047	0.003	0.003
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0047	0.003	1
Echinococcus granulosus	lysosomal alpha glucosidase	0.0174	0.0496	0.0496
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.003	1
Schistosoma mansoni	phosphoglycerate mutase	0.0047	0.003	0.003
Leishmania major	phosphoglycerate mutase family member 5, putative	0.0047	0.003	0.003
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0047	0.003	0.003
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0047	0.003	0.003
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0047	0.003	0.003
Mycobacterium leprae	conserved hypothetical protein	0.0047	0.003	0.5
Mycobacterium tuberculosis	Conserved protein	0.0047	0.003	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0047	0.003	0.5
Brugia malayi	phosphoglycerate mutase family protein	0.0047	0.003	0.0049
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0047	0.003	0.5
Leishmania major	hypothetical protein, conserved	0.0047	0.003	0.003
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0047	0.003	0.003
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0047	0.003	0.003
Leishmania major	hypothetical protein, conserved	0.0047	0.003	0.003
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.2725	0.9829	0.9829
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0047	0.003	0.003
Trypanosoma cruzi	phosphoglycerate mutase, putative	0.0047	0.003	0.003
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0047	0.003	0.003
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0047	0.003	0.003
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.1183	0.4186	0.4186
Leishmania major	hypothetical protein, unknown function	0.0047	0.003	0.003
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0047	0.003	1
Giardia lamblia	Hypothetical protein	0.1636	0.5844	0.5
Leishmania major	phosphoglycerate mutase protein, putative	0.0047	0.003	0.003
Leishmania major	hypothetical protein, conserved	0.0047	0.003	0.003
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0047	0.003	0.003
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0047	0.003	0.5
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0047	0.003	1
Loa Loa (eye worm)	hypothetical protein	0.1679	0.6004	0.6004
Entamoeba histolytica	phosphoglycerate mutase family protein. putative	0.0047	0.003	0.0051
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0053	0.0053
Echinococcus granulosus	mitogen activated protein kinase kinase kinase	0.1679	0.6004	0.6004
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0174	0.0496	0.0826
Echinococcus granulosus	phosphoglycerate mutase	0.0047	0.003	0.003
Plasmodium vivax	phosphoglucomutase-2, putative	0.0047	0.003	0.5
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0047	0.003	0.003
Brugia malayi	Protein kinase domain containing protein	0.1679	0.6004	1
Schistosoma mansoni	hypothetical protein	0.0047	0.003	0.003
Echinococcus granulosus	phosphoglycerate mutase	0.0047	0.003	0.003
Echinococcus multilocularis	phosphoglycerate mutase	0.0047	0.003	0.003
Onchocerca volvulus		0.2771	1	1
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.0047	0.003	0.0051
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.2771	1	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2771	1	1
Echinococcus granulosus	phosphoglycerate mutase	0.0047	0.003	0.003
Trypanosoma cruzi	phosphoglycerate mutase family member 5, putative	0.0047	0.003	0.003
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0047	0.003	0.5
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0047	0.003	1
Mycobacterium leprae	conserved hypothetical protein	0.0047	0.003	0.5
Leishmania major	fructose-6-phosphate2-kinase/fructose-2,6-bisph os phatase-likeprotein	0.0047	0.003	0.003
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0047	0.003	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.1707	0.6104	0.6104
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0047	0.003	1
Plasmodium falciparum	phosphoglucomutase-2	0.0047	0.003	0.5
Mycobacterium leprae	probable isochorismate synthase EntC	0.0047	0.003	0.5
Mycobacterium tuberculosis	Conserved protein	0.0047	0.003	0.5
Trypanosoma cruzi	phosphoglycerate mutase protein, putative	0.0047	0.003	0.003
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0047	0.003	0.5
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2771	1	1
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0047	0.003	1
Schistosoma mansoni	hypothetical protein	0.0047	0.003	0.003
Leishmania major	glycerolphosphate mutase, putative	0.0047	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0047	0.003	0.003
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0047	0.003	1
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0047	0.003	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0053	0.0053	0.0053
Schistosoma mansoni	alpha-glucosidase	0.015	0.0407	0.0407
Echinococcus multilocularis	phosphoglycerate mutase	0.0047	0.003	0.003
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0047	0.003	0.003
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.2725	0.9829	0.9829
Treponema pallidum	phosphoglyceromutase	0.0047	0.003	0.5
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0941	0.3304	0.3304
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.1636	0.5844	1
Schistosoma mansoni	6-phosphofructokinase	0.2771	1	1
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0047	0.003	0.003
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0174	0.0496	0.0496
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0047	0.003	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0053	0.0053	0.0088
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0047	0.003	0.003
Onchocerca volvulus		0.0101	0.0227	0.0198
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0174	0.0496	0.0496
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.1679	0.6004	0.6004
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0047	0.003	0.003
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1183	0.4186	0.4186
Loa Loa (eye worm)	hypothetical protein	0.2725	0.9829	0.9829
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.003	1
Trypanosoma cruzi	glycerolphosphate mutase, putative	0.0047	0.003	0.003
Leishmania major	phosphoglycerate mutase, putative	0.0047	0.003	0.003
Giardia lamblia	Hypothetical protein	0.1636	0.5844	0.5
Schistosoma mansoni	hypothetical protein	0.0047	0.003	0.003
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0047	0.003	1
Schistosoma mansoni	hypothetical protein	0.0047	0.003	0.003
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0047	0.003	0.5
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0047	0.003	0.003
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.2725	0.9829	0.9829
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0047	0.003	0.5
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1183	0.4186	0.4186
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0047	0.003	0.003
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1183	0.4186	0.4186
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0053	0.0053	0.0053
Echinococcus multilocularis	phosphoglycerate mutase	0.0047	0.003	0.003
Loa Loa (eye worm)	hypothetical protein	0.0047	0.003	0.003
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0053	0.0053	0.0053
Loa Loa (eye worm)	hypothetical protein	0.2771	1	1
Trypanosoma cruzi	Histidine phosphatase superfamily (branch 1), putative	0.0047	0.003	0.003
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0047	0.003	0.5
Echinococcus granulosus	phosphoglycerate mutase	0.0047	0.003	0.003
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0047	0.003	0.003
Echinococcus multilocularis	phosphoglycerate mutase	0.0047	0.003	0.003
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2771	1	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0047	0.003	0.003
Loa Loa (eye worm)	phosphoglycerate mutase	0.0047	0.003	0.003
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0174	0.0496	0.0496
Brugia malayi	phosphoglycerate mutase family protein	0.0047	0.003	0.0049
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0053	0.0053	0.0053

Activities

No activities found for this compound.

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: CHEMBL2252665

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1798859