TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 384.379 | Formula: C21H20O7
H donors: 3 H acceptors: 6 LogP: 4.54 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCOc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)C(=O)O
InChi: 1S/C21H20O7/c1-2-3-4-5-6-28-12-9-14-18(16(23)10-12)20(25)17-13(19(14)24)7-11(21(26)27)8-15(17)22/h7-10,22-23H,2-6H2,1H3,(H,26,27)
InChiKey: SLQJVKHJSLCMQQ-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
Brugia malayi	phosphoglycerate mutase family protein	0.0045	0.0076	0.3491
Mycobacterium tuberculosis	Conserved protein	0.0045	0.0076	0.5
Giardia lamblia	Hypothetical protein	0.157	0.5863	1
Plasmodium vivax	hypothetical protein, conserved	0.0025	0.0001	0.0137
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-bisphosphatas, putative	0.0045	0.0076	0.0076
Entamoeba histolytica	phosphoglycerate mutase family protein, putative	0.157	0.5863	1
Echinococcus granulosus	phosphoglycerate mutase	0.0045	0.0076	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0076	0.0076
Onchocerca volvulus		0.0045	0.0076	0.0075
Mycobacterium tuberculosis	PE-PGRS family protein PE_PGRS11	0.0045	0.0076	0.5
Echinococcus multilocularis	phosphoglycerate mutase	0.0045	0.0076	0.0076
Echinococcus multilocularis	6 phosphofructo 2 kinase:fructose 2	0.2661	1	1
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1135	0.4213	0.4169
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2661	1	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0045	0.0076	0.0076
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0045	0.0076	0.0076
Trypanosoma brucei	6-phosphofructo-2-kinase 2	0.2616	0.983	0.983
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0045	0.0076	0.5
Onchocerca volvulus	Protein UBASH3A homolog	0.0045	0.0076	0.0075
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0045	0.0076	0.0076
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2616	0.983	0.9828
Toxoplasma gondii	PHD-finger domain-containing protein	0.0025	0.0001	0.0137
Toxoplasma gondii	phosphoglycerate mutase PGMII	0.0045	0.0076	1
Trypanosoma brucei	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1135	0.4213	0.4213
Echinococcus multilocularis	lysine specific demethylase 5A	0.003	0.0021	0.0021
Mycobacterium leprae	probable isochorismate synthase EntC	0.0045	0.0076	0.5
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0069	0.0069
Echinococcus granulosus	phosphoglycerate mutase	0.0045	0.0076	0.0076
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0045	0.0076	0.5
Echinococcus granulosus	snurportin 1	0.0265	0.0912	0.0912
Schistosoma mansoni	hypothetical protein	0.0265	0.0912	0.0912
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0045	0.0076	0.0076
Loa Loa (eye worm)	jmjC domain-containing protein	0.003	0.0021	0.0021
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0082	0.0218	0.0218
Mycobacterium tuberculosis	Conserved protein	0.0045	0.0076	0.5
Schistosoma mansoni	6-phosphofructokinase	0.2661	1	1
Mycobacterium tuberculosis	Probable conserved lipoprotein LpqD	0.0045	0.0076	0.5
Loa Loa (eye worm)	hypothetical protein	0.2616	0.983	0.983
Echinococcus granulosus	phosphoglycerate mutase	0.0045	0.0076	0.0076
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2661	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0076	0.5
Mycobacterium tuberculosis	Possible hydrolase MutT1	0.0045	0.0076	0.5
Trypanosoma brucei	glycerolphosphate mutase, putative	0.0045	0.0076	0.0076
Loa Loa (eye worm)	phosphoglycerate mutase	0.0045	0.0076	0.0076
Echinococcus granulosus	phosphoglycerate mutase	0.0045	0.0076	0.0076
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0045	0.0076	0.0076
Mycobacterium leprae	Possible phosphoglycerate mutase	0.0045	0.0076	0.5
Brugia malayi	phosphoglycerate mutase family protein	0.0045	0.0076	0.3491
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0076	0.0076
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0045	0.0076	0.5
Mycobacterium leprae	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0045	0.0076	0.5
Schistosoma mansoni	hypothetical protein	0.0045	0.0076	0.0076
Treponema pallidum	phosphoglyceromutase	0.0045	0.0076	0.5
Trypanosoma brucei	phosphoglycerate mutase protein, putative	0.0045	0.0076	0.0076
Plasmodium falciparum	phosphoglycerate mutase, putative	0.0045	0.0076	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0025	0.0001	0.0001
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0045	0.0076	0.5
Mycobacterium tuberculosis	Glucosyl-3-phosphoglycerate phosphatase GpgP	0.0045	0.0076	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0076	0.0076
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0045	0.0076	1
Brugia malayi	UBASH3A protein homolog	0.0045	0.0076	0.3491
Plasmodium vivax	phosphoglucomutase-2, putative	0.0045	0.0076	1
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0025	0.0001	0.0001
Schistosoma mansoni	hypothetical protein	0.0045	0.0076	0.0076
Schistosoma mansoni	jumonji/arid domain-containing protein	0.003	0.0021	0.0021
Schistosoma mansoni	jumonji domain containing protein	0.0065	0.0154	0.0154
Trypanosoma brucei	Histidine phosphatase superfamily (branch 1), putative	0.0045	0.0076	0.0076
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0045	0.0076	0.5
Schistosoma mansoni	phosphoglycerate mutase	0.0045	0.0076	0.0076
Trichomonas vaginalis	conserved hypothetical protein	0.0045	0.0076	0.5
Echinococcus multilocularis	phosphoglycerate mutase	0.0045	0.0076	0.0076
Trypanosoma brucei	Serine/threonine-protein phosphatase PGAM5, mitochondrial, putative	0.0045	0.0076	0.0076
Loa Loa (eye worm)	hypothetical protein	0.2661	1	1
Plasmodium falciparum	phosphoglucomutase-2	0.0045	0.0076	1
Mycobacterium ulcerans	hypothetical protein	0.157	0.5863	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0082	0.0218	0.0218
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.2616	0.983	0.9828
Schistosoma mansoni	hypothetical protein	0.0045	0.0076	0.0076
Trypanosoma brucei	phosphoglycerate mutase, putative	0.0045	0.0076	0.0076
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0265	0.0912	0.0912
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase-1-like protein	0.1135	0.4213	0.4169
Trichomonas vaginalis	phosphoglycerate mutase, putative	0.0045	0.0076	0.5
Leishmania major	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2661	1	1
Echinococcus granulosus	peregrin	0.0025	0.0001	0.0001
Chlamydia trachomatis	2,3-bisphosphoglycerate-dependent phosphoglycerate mutase	0.0045	0.0076	0.5
Mycobacterium tuberculosis	Probable phosphoglycerate mutase (phosphoglyceromutase) (phosphoglycerate phosphomutase)	0.0045	0.0076	0.5
Plasmodium vivax	phosphoglycerate mutase, putative	0.0045	0.0076	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0045	0.0076	0.0076
Giardia lamblia	Hypothetical protein	0.157	0.5863	1
Echinococcus granulosus	serine:threonine protein phosphatase PGAM5	0.0045	0.0076	0.0076
Toxoplasma gondii	PHD-finger domain-containing protein	0.0025	0.0001	0.0137
Schistosoma mansoni	jumonji/arid domain-containing protein	0.003	0.0021	0.0021
Loa Loa (eye worm)	PHD-finger family protein	0.0025	0.0001	0.0001
Brugia malayi	jmjC domain containing protein	0.0082	0.0218	1
Echinococcus multilocularis	phosphoglycerate mutase	0.0045	0.0076	0.0076
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE 1 GPM1 (PHOSPHOGLYCEROMUTASE) (PGAM) (BPG-DEPENDENT PGAM)	0.0045	0.0076	0.5
Mycobacterium leprae	PROBABLE PHOSPHOGLYCERATE MUTASE (PHOSPHOGLYCEROMUTASE)	0.0045	0.0076	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0076	0.0076
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0001	0.0001
Mycobacterium leprae	conserved hypothetical protein	0.0045	0.0076	0.5
Schistosoma mansoni	hypothetical protein	0.0045	0.0076	0.0076
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.2661	1	1
Mycobacterium ulcerans	fructose-2,6-bisphosphatase GpmB	0.157	0.5863	1
Onchocerca volvulus	Protein UBASH3A homolog	0.0045	0.0076	0.0075
Onchocerca volvulus	Protein UBASH3A homolog	0.0045	0.0076	0.0075
Brugia malayi	jmjC domain containing protein	0.003	0.0021	0.0968
Loa Loa (eye worm)	jmjC domain-containing protein	0.0052	0.0103	0.0103
Trypanosoma cruzi	6-phosphofructo-2-kinase 1	0.2616	0.983	0.9828
Echinococcus multilocularis	serine:threonine protein phosphatase PGAM5	0.0045	0.0076	0.0076
Schistosoma mansoni	phosphoglycerate mutase	0.0045	0.0076	0.0076
Mycobacterium leprae	POSSIBLE HYDROLASE MUTT1	0.0045	0.0076	0.5
Schistosoma mansoni	hypothetical protein	0.0025	0.0001	0.0001
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0025	0.0001	0.0001
Echinococcus multilocularis	peregrin	0.0025	0.0001	0.0001
Mycobacterium leprae	conserved hypothetical protein	0.0045	0.0076	0.5
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0045	0.0076	1
Echinococcus granulosus	phosphoglycerate mutase	0.0045	0.0076	0.0076
Toxoplasma gondii	phosphoglycerate mutase	0.0045	0.0076	1
Echinococcus multilocularis	snurportin 1	0.0265	0.0912	0.0912
Mycobacterium leprae	conserved hypothetical protein	0.0045	0.0076	0.5
Echinococcus multilocularis	phosphoglycerate mutase	0.0045	0.0076	0.0076
Mycobacterium tuberculosis	Possible phosphoglycerate mutase Gpm2 (phosphoglyceromutase) (PGAM) (BPG-dependent PGAM)	0.0045	0.0076	0.5
Onchocerca volvulus		0.0045	0.0076	0.0075
Loa Loa (eye worm)	hypothetical protein	0.1526	0.5693	0.5693
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0045	0.0076	1
Onchocerca volvulus		0.2661	1	1
Echinococcus granulosus	lysine specific demethylase 5A	0.003	0.0021	0.0021
Schistosoma mansoni	hypothetical protein	0.0045	0.0076	0.0076
Plasmodium falciparum	phd finger protein, putative	0.0025	0.0001	0.0137
Echinococcus granulosus	jumonji domain containing protein	0.0035	0.0038	0.0038
Brugia malayi	Bromodomain containing protein	0.0025	0.0001	0.0048
Schistosoma mansoni	hypothetical protein	0.0045	0.0076	0.0076
Onchocerca volvulus		0.0045	0.0076	0.0075
Trypanosoma cruzi	6-phosphofructo-2-kinase/fructose-2,6-biphosphatase, putative	0.1135	0.4213	0.4169
Brugia malayi	RNA, U transporter 1	0.0071	0.0174	0.7976
Brugia malayi	PHD-finger family protein	0.0025	0.0001	0.0048
Onchocerca volvulus	Protein UBASH3A homolog	0.0045	0.0076	0.0075
Echinococcus multilocularis	jumonji domain containing protein	0.0035	0.0038	0.0038
Toxoplasma gondii	phosphoglycerate mutase family protein	0.0045	0.0076	1

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: CHEMBL2237111

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 1799833