TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 366.406 | Formula: C19H26O7
H donors: 2 H acceptors: 3 LogP: 1.21 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: OCC(C1OC2C(C1OC(=O)CC(c1ccccc1)C)OC(O2)(C)C)O
InChi: 1S/C19H26O7/c1-11(12-7-5-4-6-8-12)9-14(22)23-16-15(13(21)10-20)24-18-17(16)25-19(2,3)26-18/h4-8,11,13,15-18,20-21H,9-10H2,1-3H3
InChiKey: FPSDUEVPTKHUSA-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
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0429	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1352	0.1921
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0118	0.1352	0.1352
Giardia lamblia	Kinase, CMGC MAPK	0.0056	0.0429	0.5
Brugia malayi	Glycosyl hydrolases family 31 protein	0.004	0.0186	0.0265
Echinococcus multilocularis	neutral alpha glucosidase AB	0.004	0.0186	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1184	0.1682
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0336	0.4602	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.0429	0.0272
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0302	0.4093	0.4382
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.005	0.034	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0118	0.1352	0.1921
Brugia malayi	Nuclear hormone receptor-like 1	0.0118	0.1352	0.1921
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0118	0.1352	0.1352
Loa Loa (eye worm)	hypothetical protein	0.05	0.7038	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0179	0.2266	0.2266
Echinococcus multilocularis	microtubule associated protein 2	0.0699	1	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0118	0.1352	0.1352
Echinococcus multilocularis	mitogen activated protein kinase	0.0056	0.0429	0.0429
Brugia malayi	nuclear hormone receptor	0.0118	0.1352	0.1921
Onchocerca volvulus	Protein ultraspiracle homolog	0.0118	0.1352	0.2
Mycobacterium ulcerans	hypothetical protein	0.005	0.034	0.0424
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0118	0.1352	0.1921
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0509	0.0804
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0179	0.2266	0.2266
Brugia malayi	Nuclear hormone receptor-like 1	0.0107	0.1184	0.1682
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0056	0.0429	0.0272
Brugia malayi	ecdysteroid receptor	0.0482	0.6763	0.9609
Onchocerca volvulus		0.005	0.034	0.0502
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1352	0.1921
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0118	0.1352	0.1352
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0118	0.1352	0.1921
Echinococcus granulosus	neutral alpha glucosidase AB	0.004	0.0186	0.0186
Echinococcus multilocularis	survival motor neuron protein 1	0.05	0.7038	0.7038
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0118	0.1352	0.2
Loa Loa (eye worm)	hypothetical protein	0.005	0.034	0.0483
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0118	0.1352	0.1352
Schistosoma mansoni	alpha-glucosidase	0.0154	0.1894	0.1894
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0118	0.1352	0.1352
Brugia malayi	AMP-binding enzyme family protein	0.005	0.034	0.0483
Schistosoma mansoni	nuclear hormone receptor	0.0118	0.1352	0.1352
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.009	0.093	0.0834
Brugia malayi	hypothetical protein	0.05	0.7038	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0118	0.1352	0.1921
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0118	0.1352	0.1352
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.034	0.0424
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0062	0.0509	0.0867
Brugia malayi	AMP-binding enzyme family protein	0.005	0.034	0.0483
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0118	0.1352	0.1352
Schistosoma mansoni	hypothetical protein	0.004	0.0183	0.0183
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0037	0.0151	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0429	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0118	0.1352	0.1921
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0118	0.1352	0.1921
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.0107	0.1184	0.1184
Loa Loa (eye worm)	steroid hormone receptor	0.0118	0.1352	0.1921
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0118	0.1352	0.1352
Brugia malayi	nuclear receptor RXR	0.0107	0.1184	0.1682
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1352	0.1921
Schistosoma mansoni	thyroid hormone receptor	0.0118	0.1352	0.1352
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0639	0.9102	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0118	0.1352	0.1352
Echinococcus granulosus	survival motor neuron protein 1	0.05	0.7038	0.7038
Brugia malayi	photoreceptor-specific nuclear receptor	0.0118	0.1352	0.1921
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0509	0.0509
Trypanosoma brucei	protein kinase, putative	0.0056	0.0429	0.0272
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0118	0.1352	0.1352
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0118	0.1352	0.1921
Brugia malayi	Nuclear hormone receptor-like 1	0.0107	0.1184	0.1682
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0118	0.1352	0.1352
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.005	0.034	0.0424
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.0107	0.1184	0.1682
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0118	0.1352	0.1921
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0118	0.1352	0.1352
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.034	0.0424
Echinococcus multilocularis	FTZ F1 alpha	0.0118	0.1352	0.1352
Entamoeba histolytica	acyl-coA synthetase, putative	0.005	0.034	1
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0509	0.0804
Brugia malayi	hypothetical protein	0.0107	0.1184	0.1682
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0429	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0056	0.0429	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1184	0.1682
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0118	0.1352	0.1921
Mycobacterium ulcerans	acyl-CoA synthetase	0.005	0.034	0.0424
Schistosoma mansoni	hypothetical protein	0.0102	0.1112	0.1112
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1352	0.1921
Entamoeba histolytica	acyl-CoA synthetase, putative	0.005	0.034	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0118	0.1352	0.1921
Brugia malayi	Steroid receptor seven-up type 2	0.0118	0.1352	0.1921
Toxoplasma gondii	hypothetical protein	0.0103	0.1127	1
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1184	0.1682
Loa Loa (eye worm)	hypothetical protein	0.005	0.034	0.0483
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0151	0.0215
Leishmania major	4-coumarate:coa ligase-like protein	0.005	0.034	0.0172
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0056	0.0429	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0151	0.0215
Echinococcus granulosus	FTZ F1 alpha	0.0118	0.1352	0.1352
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0179	0.2266	0.3219
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.005	0.034	0.5
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0037	0.0151	0.0068
Schistosoma mansoni	alpha-glucosidase	0.0154	0.1894	0.1894
Brugia malayi	nuclear receptor NHR-88	0.0118	0.1352	0.1921
Plasmodium vivax	acyl-CoA synthetase, putative	0.0037	0.0151	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0107	0.1184	0.1184
Leishmania major	4-coumarate:coa ligase-like protein	0.005	0.034	0.0172
Loa Loa (eye worm)	hypothetical protein	0.0482	0.6763	0.9609
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0118	0.1352	0.1352
Trichomonas vaginalis	CMGC family protein kinase	0.0056	0.0429	1
Mycobacterium ulcerans	hypothetical protein	0.0336	0.4602	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0151	0.0215
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0151	0.0215
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0056	0.0429	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1352	0.1921
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0118	0.1352	0.1921
Leishmania major	mitochondrial DNA polymerase beta	0.0639	0.9102	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0118	0.1352	0.1352
Echinococcus multilocularis	ecdysone induced protein 78C	0.0118	0.1352	0.1352
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0183	0.0183
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0118	0.1352	0.1352
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.005	0.034	0.0424
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0183	0.0183
Brugia malayi	hypothetical protein	0.004	0.0183	0.0261
Loa Loa (eye worm)	hypothetical protein	0.005	0.034	0.0483
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0302	0.4093	0.4382
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0118	0.1352	0.1352
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1184	0.1682
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0109	0.1223	0.1163
Entamoeba histolytica	acyl-CoA synthetase, putative	0.005	0.034	1
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.0186	0.0184
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.005	0.034	0.0489
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0118	0.1352	0.1921
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0639	0.9102	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.005	0.034	0.0424
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0056	0.0429	0.0272
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0118	0.1352	0.1921
Onchocerca volvulus	Bile acid receptor homolog	0.0482	0.6763	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0118	0.1352	0.1352
Schistosoma mansoni	coup transcription factor	0.0118	0.1352	0.1352
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0062	0.0509	0.0509
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.005	0.034	0.0489
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0639	0.9102	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0118	0.1352	0.1352
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0302	0.4093	0.4382
Loa Loa (eye worm)	hypothetical protein	0.0107	0.1184	0.1682
Brugia malayi	steroid hormone receptor	0.0118	0.1352	0.1921
Onchocerca volvulus		0.0118	0.1352	0.2
Schistosoma mansoni	aldehyde dehydrogenase	0.0062	0.0509	0.0509
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0118	0.1352	0.1921
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0118	0.1352	0.1921
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0118	0.1352	0.1921
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0118	0.1352	0.1352
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0062	0.0509	0.0804
Toxoplasma gondii	aldehyde dehydrogenase	0.0062	0.0509	0.3431
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0056	0.0429	0.0429
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0062	0.0509	0.0509
Onchocerca volvulus		0.0104	0.1139	0.1684
Plasmodium falciparum	acyl-CoA synthetase	0.0037	0.0151	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0056	0.0429	0.0429
Brugia malayi	AMP-binding enzyme family protein	0.005	0.034	0.0483
Onchocerca volvulus		0.0102	0.1112	0.1644
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0056	0.0429	0.2581
Brugia malayi	MAP kinase sur-1	0.0056	0.0429	0.061
Echinococcus granulosus	mitogen activated protein kinase 3	0.0056	0.0429	0.0429
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0118	0.1352	0.1921
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1352	0.1921
Loa Loa (eye worm)	hypothetical protein	0.0118	0.1352	0.1921
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0118	0.1352	0.1921
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0118	0.1352	0.1921
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.004	0.0186	0.0184
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.0107	0.1184	0.1184
Echinococcus granulosus	ecdysone induced protein 78C	0.0118	0.1352	0.1352
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.004	0.0186	0.0265
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0102	0.1112	0.158
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.005	0.034	0.0424
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0118	0.1352	0.1352
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0183	0.0183
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0118	0.1352	0.1921
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.0107	0.1184	0.1184
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.009	0.093	0.0834
Echinococcus granulosus	mitogen activated protein kinase	0.0056	0.0429	0.0429
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0056	0.0429	0.0272
Schistosoma mansoni	survival motor neuron protein	0.0102	0.1112	0.1112
Schistosoma mansoni	microtubule-associated protein tau	0.0699	1	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.009	0.093	0.0834
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0062	0.0509	0.0362
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0179	0.2266	0.3219
Schistosoma mansoni	RAR-like nuclear receptor	0.0118	0.1352	0.1352
Brugia malayi	hypothetical protein	0.0107	0.1184	0.1682
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.009	0.093	0.0834
Schistosoma mansoni	alpha glucosidase	0.004	0.0186	0.0186
Schistosoma mansoni	thyroid hormone receptor	0.0118	0.1352	0.1352
Leishmania major	4-coumarate:coa ligase-like protein	0.005	0.034	0.0172
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0118	0.1352	0.1352
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0056	0.0429	0.061
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0151	0.0215
Echinococcus granulosus	lysosomal alpha glucosidase	0.0179	0.2266	0.2266

Activities

Activity type	Activity value	Assay description	Source	Reference
Erythroid induction (functional)	= 15 %	Compound was evaluated for erythroid induction of benzidine-positive K562 cells at concentration 1 mM after 9 day induction period	ChEMBL.	10560743
Erythroid induction (functional)	= 15 %	Compound was evaluated for erythroid induction of benzidine-positive K562 cells at concentration 1 mM after 9 day induction period	ChEMBL.	10560743
IC50 (functional)	= 0.5 mM	Inhibition of cell growth against human myeloid leukemia K562(S) cells	ChEMBL.	10560743
IC50 (functional)	= 0.5 mM	Inhibition of cell growth against human myeloid leukemia K562(S) cells	ChEMBL.	10560743

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 178683