TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 455.519 | Formula: C26H30FNO5
H donors: 1 H acceptors: 3 LogP: 4.37 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)F)/C(=C(/OC1CCCCC1)\O)/C(=N2)C
InChi: 1S/C26H30FNO5/c1-14-12-19-23(24(29)20(14)25(30)32-3)22(16-8-7-9-17(27)13-16)21(15(2)28-19)26(31)33-18-10-5-4-6-11-18/h7-9,13-14,18,20,22,31H,4-6,10-12H2,1-3H3
InChiKey: DXKNCPNBFLYDNX-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 multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0949	0.0951
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0332	0.0333
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0228	0.974	0.9758
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1817	0.1821
Schistosoma mansoni	hypothetical protein	0.0016	0.0332	0.047
Schistosoma mansoni	hypothetical protein	0.0016	0.0332	0.047
Toxoplasma gondii	hypothetical protein	0.0082	0.3256	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.1067	1
Schistosoma mansoni	hypothetical protein	0.0034	0.113	0.16
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0475	0.0476
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0949	0.0951
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0475	0.5
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.1233	0.1236
Loa Loa (eye worm)	hypothetical protein	0.0034	0.113	0.1132
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0475	0.0476
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1233	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.3256	0.3262
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0475	0.2535
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0475	0.2535
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0332	0.0333
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0332	0.0333
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0475	0.2535
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0082	0.3256	0.3262
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.1753	0.1756
Echinococcus multilocularis	geminin	0.0168	0.7062	0.7075
Loa Loa (eye worm)	inositol-1	0.0036	0.1233	0.1236
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0475	0.2535
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0332	0.0333
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0475	0.2535
Schistosoma mansoni	inositol monophosphatase	0.0036	0.1233	0.1747
Schistosoma mansoni	inositol monophosphatase	0.0036	0.1233	0.1747
Trichomonas vaginalis	set domain proteins, putative	0.0234	1	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0475	0.0476
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.1233	0.1231
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0475	0.0672
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1817	0.1821
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0475	0.2535
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.1233	0.0797
Echinococcus granulosus	survival motor neuron protein 1	0.0234	0.9982	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0475	0.2535
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.1233	0.0797
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0475	0.2535
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0949	0.1344
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0475	0.2535
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0901	0.0903
Echinococcus multilocularis	survival motor neuron protein 1	0.0234	0.9982	1
Brugia malayi	hypothetical protein	0.0234	0.9982	1
Brugia malayi	Pre-SET motif family protein	0.0206	0.8743	0.8758
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0949	0.0951
Onchocerca volvulus		0.0048	0.1753	0.0888
Brugia malayi	MH2 domain containing protein	0.0118	0.4864	0.4872
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.4864	0.4872
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0206	0.8743	0.8758
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0332	0.0333
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0032	0.1067	0.5
Schistosoma mansoni	hypothetical protein	0.0016	0.0332	0.047
Schistosoma mansoni	hypothetical protein	0.0048	0.1753	0.2482
Echinococcus granulosus	GPCR family 2	0.0016	0.0332	0.0333
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.4864	0.4872
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.1233	1
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0475	0.0672
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0475	0.2535
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0949	0.1344
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.1233	0.1236
Schistosoma mansoni	hypothetical protein	0.0168	0.7062	1
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0332	0.0333
Trypanosoma brucei	unspecified product	0.0019	0.0475	0.2535
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0475	0.0672
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0332	0.0333
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0475	0.0476
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.1233	0.0797
Brugia malayi	Pre-SET motif family protein	0.0029	0.0949	0.0951
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0475	0.2535
Schistosoma mansoni	hypothetical protein	0.0016	0.0332	0.047
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0475	0.2535
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1233	1
Loa Loa (eye worm)	hypothetical protein	0.0082	0.3256	0.3262
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.1233	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0332	0.0333
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0475	0.0476
Schistosoma mansoni	hypothetical protein	0.0168	0.7062	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.113	0.1132
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1817	0.1821
Echinococcus granulosus	dna polymerase eta	0.0019	0.0475	0.0476
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1817	0.1821
Schistosoma mansoni	survival motor neuron protein	0.0048	0.1753	0.2482
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0475	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0082	0.3256	0.3262
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1233	1
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0475	0.0476
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0949	0.0951
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0475	0.2535
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.1233	1
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.1233	0.5
Loa Loa (eye worm)	hypothetical protein	0.0234	0.9982	1
Plasmodium vivax	SET domain protein, putative	0.0029	0.0949	0.5
Brugia malayi	follicle stimulating hormone receptor	0.0228	0.974	0.9758
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0475	0.2535
Brugia malayi	Inositol-1	0.0036	0.1233	0.1236
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0332	0.0333
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0029	0.0949	0.1344
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0475	0.0476
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0029	0.0949	0.1344
Echinococcus granulosus	geminin	0.0168	0.7062	0.7075
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0475	0.0476

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 801163