TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 827.778 | Formula: C34H53NO22
H donors: 12 H acceptors: 12 LogP: -5.62 Rotable bonds: 12
Rule of 5 violations (Lipinski): 4
SMILES: OC[C@@H]1O[C@H]([C@@H]([C@H]1O)O)O[C@@H]1[C@@H](O)[C@H](O[C@H]2[C@H](OC[C@@H]([C@@H]2O)O)O[C@@H]2[C@@H](C)O[C@H]([C@@H]([C@H]2O)O[C@@H]2O[C@H](C)[C@H]([C@@H]([C@H]2O)O)O)Oc2cc[nH]c2C(=O)C)O[C@@H]([C@@H]1O)C
InChi: 1S/C34H53NO22/c1-9(37)16-14(5-6-35-16)52-34-29(57-30-23(45)21(43)17(39)10(2)49-30)24(46)26(12(4)51-34)54-33-28(19(41)13(38)8-48-33)56-32-25(47)27(18(40)11(3)50-32)55-31-22(44)20(42)15(7-36)53-31/h5-6,10-13,15,17-36,38-47H,7-8H2,1-4H3/t10-,11-,12-,13+,15+,17-,18+,19+,20+,21+,22-,23-,24+,25-,26-,27+,28-,29-,30+,31+,32+,33-,34+/m1/s1
InChiKey: FKEQSFSUQODGOX-PXQGXXGMSA-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
Schistosoma mansoni	inositol transporter	0.0291	0.6769	0.6769
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0405	0.5
Echinococcus multilocularis	sterol O acyltransferase 1	0.0233	0.5272	0.7789
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0041	0.0405	0.0598
Trichomonas vaginalis	porcupine, putative	0.0041	0.0405	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0405	0.0768
Trypanosoma cruzi	GUP1, putative	0.0041	0.0405	0.5
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0405	0.0768
Leishmania major	glycerol uptake protein, putative	0.0041	0.0405	0.5
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0041	0.0405	0.5
Trypanosoma brucei	glycerol uptake protein, putative	0.0041	0.0405	0.5
Loa Loa (eye worm)	hypothetical protein	0.0233	0.5272	1
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0144	0.3013	0.5
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0041	0.0405	0.0598
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0144	0.3013	0.4451
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0041	0.0405	0.0768
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0041	0.0405	0.0598
Loa Loa (eye worm)	MBOAT family protein	0.0041	0.0405	0.0768
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0291	0.6769	1
Entamoeba histolytica	hypothetical protein, conserved	0.0041	0.0405	0.5
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0041	0.0405	0.0598
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0041	0.0405	0.0598
Loa Loa (eye worm)	MBOAT family protein	0.0041	0.0405	0.0768
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0041	0.0405	0.0405
Loa Loa (eye worm)	hhat protein	0.0041	0.0405	0.0768
Brugia malayi	GH02984p	0.0074	0.1244	0.4129
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0144	0.3013	1
Brugia malayi	diacylglycerol acyltransferase	0.0144	0.3013	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1244	0.2359
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0405	0.5
Brugia malayi	MBOAT family protein	0.0041	0.0405	0.1344
Leishmania major	hypothetical protein, conserved	0.0041	0.0405	0.5
Trypanosoma cruzi	glycerol uptake protein, putative	0.0041	0.0405	0.5
Schistosoma mansoni	hypothetical protein	0.0041	0.0405	0.0405
Brugia malayi	MBOAT family protein	0.0041	0.0405	0.1344
Brugia malayi	MBOAT family protein	0.0041	0.0405	0.1344
Loa Loa (eye worm)	hypothetical protein	0.0074	0.1244	0.2359
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0041	0.0405	0.0405
Brugia malayi	Sodium:solute symporter family protein	0.0074	0.1244	0.4129
Loa Loa (eye worm)	hypothetical protein	0.0191	0.4218	0.8001
Trypanosoma cruzi	glycerol uptake protein, putative	0.0041	0.0405	0.5
Brugia malayi	Hhat protein	0.0041	0.0405	0.1344
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0041	0.0405	0.0598
Echinococcus granulosus	sterol O acyltransferase 1	0.0233	0.5272	0.7789
Leishmania major	glycerol uptake protein, putative	0.0041	0.0405	0.5
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0041	0.0405	0.5
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0074	0.1244	0.3218
Leishmania major	glycerol uptake protein, putative	0.0041	0.0405	0.5
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0291	0.6769	1
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0041	0.0405	0.0598
Schistosoma mansoni	inositol transporter	0.0291	0.6769	0.6769
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0041	0.0405	0.0598
Echinococcus granulosus	solute carrier family 5	0.0291	0.6769	1
Brugia malayi	MBOAT family protein	0.0041	0.0405	0.1344
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0144	0.3013	0.5
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0291	0.6769	1
Leishmania major	glycerol uptake protein, putative	0.0041	0.0405	0.5
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0144	0.3013	0.4451
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0074	0.1244	0.1838
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0291	0.6769	1
Trypanosoma cruzi	GUP1, putative	0.0041	0.0405	0.5
Echinococcus multilocularis	high affinity choline transporter 1	0.0074	0.1244	0.1838
Treponema pallidum	alginate O-acetylation protein (algI)	0.0041	0.0405	0.5
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0041	0.0405	0.5
Loa Loa (eye worm)	MBOAT family protein	0.0041	0.0405	0.0768
Onchocerca volvulus		0.0041	0.0405	0.3254
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0041	0.0405	0.0405
Trypanosoma brucei	glycerol uptake protein, putative	0.0041	0.0405	0.5
Entamoeba histolytica	hypothetical protein	0.0041	0.0405	0.5
Onchocerca volvulus		0.0074	0.1244	1
Entamoeba histolytica	vacuolar protein sorting 26	0.0041	0.0405	0.5
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1959	0.3716
Schistosoma mansoni	high-affinity choline transporter	0.0074	0.1244	0.1244
Echinococcus granulosus	sodium:glucose cotransporter	0.0291	0.6769	1
Loa Loa (eye worm)	hhat protein	0.0041	0.0405	0.0768
Schistosoma mansoni	zinc finger protein	0.0041	0.0405	0.0405
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0144	0.3013	1
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0041	0.0405	0.0405
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0041	0.0405	0.5
Leishmania major	glycerol uptake protein, putative	0.0041	0.0405	0.5
Brugia malayi	MBOAT family protein	0.0041	0.0405	0.1344
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0405	0.0768
Schistosoma mansoni	sterol O-acyltransferase 1	0.0233	0.5272	0.5272
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0074	0.1244	0.1838
Trypanosoma cruzi	glycerol uptake protein, putative	0.0041	0.0405	0.5
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0144	0.3013	0.3013
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0041	0.0405	0.0598
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0144	0.3013	0.5714
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0041	0.0405	0.0598
Echinococcus multilocularis	solute carrier family 5	0.0291	0.6769	1
Echinococcus granulosus	high affinity choline transporter 1	0.0074	0.1244	0.1838
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0041	0.0405	0.0598
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0041	0.0405	0.0598
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0041	0.0405	0.0598
Schistosoma mansoni	sodium/solute symporter	0.0074	0.1244	0.1244
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0405	0.5
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0041	0.0405	0.0598
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0041	0.0405	0.0405

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: CHEMBL2333841

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1730316