TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 822.891 | Formula: C44H54O15
H donors: 6 H acceptors: 10 LogP: 5.06 Rotable bonds: 11
Rule of 5 violations (Lipinski): 3
SMILES: CC(=CCc1c2O[C@]34C(C(=O)c2c(c2c1O[C@](C)(CCC=C(C)C)C=C2)O)C(O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)[C@@H]1C[C@H]3C(O[C@@]4(C/C=C(\C(=O)O)/C)C1=O)(C)C)C
InChi: 1S/C44H54O15/c1-19(2)10-9-15-42(8)16-14-22-28(45)26-29(46)27-35(55-40-32(49)30(47)31(48)36(56-40)39(53)54)24-18-25-41(6,7)59-43(37(24)50,17-13-21(5)38(51)52)44(25,27)58-34(26)23(33(22)57-42)12-11-20(3)4/h10-11,13-14,16,24-25,27,30-32,35-36,40,45,47-49H,9,12,15,17-18H2,1-8H3,(H,51,52)(H,53,54)/b21-13-/t24-,25-,27?,30-,31-,32+,35?,36-,40+,42+,43-,44-/m0/s1
InChiKey: TZPROOSLLJNQHV-YBSJKGMBSA-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	Intermediate filament tail domain containing protein	0.0033	0.0259	0.0259
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.021	0.4734	1
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.021	0.4734	0.4734
Echinococcus granulosus	sodium:glucose cotransporter	0.0046	0.0604	0.0604
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.021	0.4734	0.4734
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.021	0.4734	1
Echinococcus granulosus	lipoxygenase domain containing protein	0.0024	0.0039	0.0039
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0138	0.2908	0.4737
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0259	0.0259
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.021	0.4734	0.4734
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0138	0.2905	0.4996
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.3067	0.3067
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.021	0.4734	0.4734
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0024	0.0039	0.0039
Echinococcus granulosus	lamin	0.0033	0.0259	0.0259
Schistosoma mansoni	loxhd1	0.0024	0.0039	0.0039
Schistosoma mansoni	polycystin 1-related	0.0024	0.0039	0.0039
Chlamydia trachomatis	glyceraldehyde-3-phosphate dehydrogenase	0.021	0.4734	0.5
Onchocerca volvulus		0.0033	0.0259	0.0819
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0083	0.1534	0.1534
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0046	0.0604	0.0604
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0259	0.0259
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0046	0.0604	0.0604
Schistosoma mansoni	rab6-interacting	0.0024	0.0039	0.0039
Echinococcus granulosus	geminin	0.0205	0.4588	0.4588
Brugia malayi	hypothetical protein	0.0083	0.1534	0.1534
Schistosoma mansoni	rab6-interacting	0.0024	0.0039	0.0039
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.021	0.4734	1
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.021	0.4734	0.4734
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0138	0.2908	0.2908
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0024	0.0039	0.0039
Echinococcus granulosus	Polycystic kidney disease protein	0.0024	0.0039	0.0039
Echinococcus granulosus	lipoxygenase domain containing protein	0.0024	0.0039	0.0039
Brugia malayi	hypothetical protein	0.0024	0.0039	0.0039
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.0138	0.2908	0.4737
Onchocerca volvulus		0.0033	0.0259	0.0819
Brugia malayi	Doublecortin family protein	0.0024	0.0039	0.0039
Echinococcus granulosus	tumor protein p63	0.0408	0.9705	0.9705
Onchocerca volvulus		0.0024	0.0039	0.0122
Onchocerca volvulus	Huntingtin homolog	0.0148	0.3162	1
Schistosoma mansoni	sodium/solute symporter	0.0046	0.0604	0.0604
Schistosoma mansoni	high-affinity choline transporter	0.042	1	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.021	0.4734	0.4734
Echinococcus multilocularis	musashi	0.0033	0.0259	0.0259
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0046	0.0604	0.0604
Echinococcus multilocularis	high affinity choline transporter 1	0.042	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.3067	0.3067
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.021	0.4734	1
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0046	0.0604	0.0604
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0067	0.1117	0.1117
Schistosoma mansoni	hypothetical protein	0.0205	0.4588	0.4588
Loa Loa (eye worm)	hypothetical protein	0.006	0.0942	0.0942
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.021	0.4734	1
Schistosoma mansoni	glyceraldehyde-3-phosphate dehydrogenase (phosphorylating)	0.021	0.4734	0.4734
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0244	0.0244
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.021	0.4734	0.4734
Treponema pallidum	glyceraldehyde 3-phosphate dehydrogenase (gap)	0.021	0.4734	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0259	0.0259
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.021	0.4734	1
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0145	0.3094	0.3094
Onchocerca volvulus		0.0046	0.0604	0.1912
Plasmodium vivax	glyceraldehyde-3-phosphate dehydrogenase, putative	0.021	0.4734	1
Onchocerca volvulus		0.006	0.0942	0.298
Loa Loa (eye worm)	glyceraldehyde-3-phosphate dehydrogenase	0.0145	0.3094	0.3094
Schistosoma mansoni	lamin	0.0033	0.0259	0.0259
Brugia malayi	hypothetical protein	0.0024	0.0039	0.0039
Echinococcus granulosus	RUN	0.0024	0.0039	0.0039
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0039	0.0039
Brugia malayi	MH2 domain containing protein	0.0144	0.3067	0.3067
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, cytosolic	0.021	0.4734	1
Echinococcus granulosus	lamin dm0	0.0033	0.0259	0.0259
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0046	0.0604	0.0604
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.021	0.4734	1
Plasmodium falciparum	glyceraldehyde-3-phosphate dehydrogenase	0.021	0.4734	1
Brugia malayi	Sodium:solute symporter family protein	0.0046	0.0604	0.0604
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.021	0.4734	1
Echinococcus granulosus	high affinity choline transporter 1	0.042	1	1
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.021	0.4734	1
Echinococcus multilocularis	RUN	0.0024	0.0039	0.0039
Echinococcus multilocularis	geminin	0.0205	0.4588	0.4588
Brugia malayi	intermediate filament protein	0.0033	0.0259	0.0259
Echinococcus granulosus	solute carrier family 5	0.0046	0.0604	0.0604
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.021	0.4734	0.4734
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.021	0.4734	1
Onchocerca volvulus	Huntingtin homolog	0.0148	0.3162	1
Loa Loa (eye worm)	hypothetical protein	0.042	1	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.021	0.4734	1
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0046	0.0604	0.0604
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0942	0.0942
Loa Loa (eye worm)	hypothetical protein	0.0138	0.2908	0.2908
Echinococcus granulosus	glyceraldehyde 3 phosphate dehydrogenase	0.0138	0.2908	0.2908
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.021	0.4734	1
Mycobacterium ulcerans	glyceraldehyde 3-phosphate dehydrogenase Gap	0.021	0.4734	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0604	0.0604
Loa Loa (eye worm)	doublecortin family protein	0.0024	0.0039	0.0039
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH1	0.021	0.4734	1
Loa Loa (eye worm)	hypothetical protein	0.0148	0.3162	0.3162
Trypanosoma brucei	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.021	0.4734	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0039	0.0039
Schistosoma mansoni	inositol transporter	0.0046	0.0604	0.0604
Schistosoma mansoni	transcription factor LCR-F1	0.0083	0.1534	0.1534
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0083	0.1534	0.1534
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.021	0.4734	1
Echinococcus granulosus	intermediate filament protein	0.0033	0.0259	0.0259
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0067	0.1117	0.1117
Giardia lamblia	Glyceraldehyde 3-phosphate dehydrogenase	0.021	0.4734	1
Echinococcus multilocularis	Polycystic kidney disease protein	0.0024	0.0039	0.0039
Onchocerca volvulus		0.0024	0.0039	0.0122
Entamoeba histolytica	glyceraldehyde-3-phosphate dehydrogenase, putative	0.021	0.4734	1
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, putative	0.021	0.4734	1
Brugia malayi	hypothetical protein	0.0148	0.3162	0.3162
Schistosoma mansoni	inositol transporter	0.0046	0.0604	0.0604
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0259	0.0259
Mycobacterium tuberculosis	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0073	0.1268	0.5
Schistosoma mansoni	hypothetical protein	0.0024	0.0039	0.0039
Echinococcus multilocularis	tumor protein p63	0.0408	0.9705	0.9705
Trypanosoma cruzi	glyceraldehyde-3-phosphate dehydrogenase, putative	0.0138	0.2905	0.4996
Schistosoma mansoni	hypothetical protein	0.0083	0.1534	0.1534
Schistosoma mansoni	hypothetical protein	0.0205	0.4588	0.4588
Toxoplasma gondii	glyceraldehyde-3-phosphate dehydrogenase GAPDH2	0.021	0.4734	1
Loa Loa (eye worm)	hypothetical protein	0.0148	0.3162	0.3162
Schistosoma mansoni	lamin	0.0033	0.0259	0.0259
Echinococcus multilocularis	lamin	0.0033	0.0259	0.0259
Schistosoma mansoni	lipoxygenase	0.0024	0.0039	0.0039
Wolbachia endosymbiont of Brugia malayi	glyceraldehyde-3-phosphate dehydrogenase, GapA	0.021	0.4734	0.5
Mycobacterium leprae	Probable glyceraldehyde 3-phosphate dehydrogenase Gap (GAPDH)	0.0073	0.1268	0.5
Echinococcus multilocularis	solute carrier family 5	0.0046	0.0604	0.0604
Leishmania major	glyceraldehyde 3-phosphate dehydrogenase, glycosomal	0.021	0.4734	1
Brugia malayi	glyceraldehyde 3-phosphate dehydrogenase	0.0065	0.108	0.108
Trypanosoma cruzi	glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative	0.021	0.4734	1
Echinococcus multilocularis	glyceraldehyde 3 phosphate dehydrogenase	0.0138	0.2908	0.2908
Schistosoma mansoni	lipoxygenase	0.0067	0.1117	0.1117
Loa Loa (eye worm)	glyceraldehyde 3-phosphate dehydrogenase	0.0138	0.2908	0.2908
Trichomonas vaginalis	glyceraldehyde 3-phosphate dehydrogenase, putative	0.021	0.4734	1
Echinococcus multilocularis	lamin dm0	0.0033	0.0259	0.0259
Brugia malayi	Glyceraldehyde 3-phosphate dehydrogenase	0.0073	0.1265	0.1265

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: CHEMBL3527574

Bibliographic References

No literature references available for this target.

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Detailed information for compound 2073824