TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 413.464 | Formula: C23H27NO6
H donors: 2 H acceptors: 4 LogP: 2.91 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)O)/C(=C(/OC(C)C)\O)/C(=N2)C
InChi: 1S/C23H27NO6/c1-11(2)30-23(28)18-13(4)24-16-9-12(3)17(22(27)29-5)21(26)20(16)19(18)14-7-6-8-15(25)10-14/h6-8,10-12,17,19,25,28H,9H2,1-5H3
InChiKey: QSMLDVGDBLTLRF-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
Echinococcus granulosus	tar DNA binding protein	0.0065	0.4024	0.4024
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0123	0.9295	0.9295
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.013	0.9956	0.9956
Schistosoma mansoni	serine/threonine protein kinase	0.0053	0.2844	0.2844
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.4024	0.4024
Echinococcus granulosus	mitogen activated protein kinase	0.0053	0.2844	0.2844
Echinococcus multilocularis	mitogen activated protein kinase	0.0053	0.2844	0.2844
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0024	0.0219	0.5
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0086	0.5909	0.6357
Mycobacterium ulcerans	aldehyde dehydrogenase	0.013	0.9956	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.265	0.265
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.265	0.285
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.013	0.9956	1
Schistosoma mansoni	aldehyde dehydrogenase	0.013	0.9956	0.9956
Echinococcus granulosus	L aminoadipate semialdehyde	0.0086	0.5909	0.5909
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0024	0.0219	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0065	0.4024	0.4715
Loa Loa (eye worm)	RNA binding protein	0.0065	0.4024	0.4715
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0053	0.2844	0.2696
Mycobacterium ulcerans	aldehyde dehydrogenase	0.013	0.9956	1
Echinococcus multilocularis	tar DNA binding protein	0.0065	0.4024	0.4024
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.2844	0.5
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0123	0.9295	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0053	0.2844	0.2844
Brugia malayi	MAP kinase sur-1	0.0053	0.2844	0.306
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.2844	0.5
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0086	0.5909	0.5909
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.265	0.3105
Brugia malayi	RNA binding protein	0.0065	0.4024	0.4329
Toxoplasma gondii	aldehyde dehydrogenase	0.013	0.9956	1
Schistosoma mansoni	lipoxygenase	0.013	1	1
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0053	0.2844	0.5
Echinococcus granulosus	mitogen activated protein kinase 3	0.0053	0.2844	0.2844
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.013	1	1
Schistosoma mansoni	lipoxygenase	0.0091	0.6387	0.6387
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0024	0.0219	0.5
Brugia malayi	TAR-binding protein	0.0065	0.4024	0.4329
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0053	0.2844	0.2696
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0123	0.9295	0.9321
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.265	0.265
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0053	0.2844	0.5
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0053	0.2844	0.2696
Entamoeba histolytica	hypothetical protein	0.0024	0.0219	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.265	0.265
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0123	0.9295	0.9321
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.4024	0.4024
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0053	0.2844	0.3333
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.265	0.265
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.2844	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.265	0.265
Brugia malayi	RNA recognition motif domain containing protein	0.0065	0.4024	0.4329
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.4024	0.4024
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0123	0.9295	0.9295
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.013	0.9956	1
Onchocerca volvulus		0.0086	0.5909	1
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0086	0.5909	0.5909
Schistosoma mansoni	aldehyde dehydrogenase	0.013	0.9956	0.9956
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.265	0.265
Giardia lamblia	Kinase, CMGC MAPK	0.0053	0.2844	0.5
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.013	0.9956	0.9956
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.4024	0.4024
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0053	0.2844	1
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0123	0.9295	0.9321
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.2844	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0053	0.2844	0.5
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0024	0.0219	1
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0123	0.9295	0.9295
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0053	0.2844	0.5
Loa Loa (eye worm)	hypothetical protein	0.0086	0.5909	0.6924
Loa Loa (eye worm)	TAR-binding protein	0.0065	0.4024	0.4715
Mycobacterium leprae	conserved hypothetical protein	0.0024	0.0219	0.5
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0114	0.8534	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.265	0.265
Schistosoma mansoni	tar DNA-binding protein	0.0065	0.4024	0.4024
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0024	0.0219	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.013	0.9956	1
Trypanosoma brucei	protein kinase, putative	0.0053	0.2844	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0123	0.9295	0.9321

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 801264