TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 339.345 | Formula: C18H17N3O4
H donors: 2 H acceptors: 3 LogP: 1.24 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: CCn1c(=O)[nH]c(=O)c2c1N=C1COC(=C1C2c1cccc(c1)C)O
InChi: 1S/C18H17N3O4/c1-3-21-15-14(16(22)20-18(21)24)12(10-6-4-5-9(2)7-10)13-11(19-15)8-25-17(13)23/h4-7,12,23H,3,8H2,1-2H3,(H,20,22,24)
InChiKey: YMVHLICXLLJKCE-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	muscleblind protein	0.0314	0.4311	0.4257
Echinococcus granulosus	microtubule associated protein 2	0.0694	0.9929	0.9929
Toxoplasma gondii	ABC1 family protein	0.0072	0.0733	1
Onchocerca volvulus		0.0072	0.0733	0.2141
Onchocerca volvulus		0.0072	0.0733	0.2141
Onchocerca volvulus		0.0072	0.0733	0.2141
Mycobacterium tuberculosis	Probable hydrolase	0.0072	0.0733	0.1127
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0466	0.0882
Trypanosoma cruzi	DNA polymerase eta, putative	0.0044	0.0309	0.0492
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0072	0.0733	0.1127
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.014	0.1726	0.4291
Brugia malayi	MH2 domain containing protein	0.0242	0.3242	0.7466
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	0.4023	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0276	0.0407
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1175	0.2566
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0072	0.0733	0.3744
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0023	0	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0203	0.2667	0.6103
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0023	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0863	0.1824
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.2522	0.2469
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0029	0.0093	0.1273
Mycobacterium ulcerans	lipase LipD	0.0072	0.0733	0.3744
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0733	0.1127
Mycobacterium leprae	Probable lipase LipE	0.0072	0.0733	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0072	0.0733	0.1127
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0733	0.1127
Brugia malayi	RNA binding protein	0.0193	0.2522	0.5758
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0733	0.0651
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0193	0.2522	0.5758
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.0276	0.0685
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0295	0.4023	1
Brugia malayi	TAR-binding protein	0.0193	0.2522	0.5758
Schistosoma mansoni	cellular tumor antigen P53	0.0102	0.1175	0.11
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0463	0.6506	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0242	0.3242	0.7466
Mycobacterium ulcerans	hypothetical protein	0.0155	0.1959	1
Mycobacterium ulcerans	hypothetical protein	0.0072	0.0733	0.3744
Loa Loa (eye worm)	TAR-binding protein	0.0193	0.2522	0.5758
Brugia malayi	beta-lactamase family protein	0.0072	0.0733	0.1518
Loa Loa (eye worm)	transcription factor SMAD2	0.0242	0.3242	0.7466
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0295	0.4023	1
Brugia malayi	ImpB/MucB/SamB family protein	0.0044	0.0309	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0733	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0466	0.0882
Schistosoma mansoni	hypothetical protein	0.0037	0.0211	0.012
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0081	0.0863	0.0782
Toxoplasma gondii	hypothetical protein	0.0048	0.0366	0.4986
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0072	0.0733	0.1518
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0072	0.0733	0.1127
Mycobacterium tuberculosis	Conserved protein	0.0072	0.0733	0.1127
Echinococcus granulosus	muscleblind protein	0.0314	0.4311	0.4267
Mycobacterium ulcerans	beta-lactamase	0.0072	0.0733	0.3744
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0081	0.0863	0.1824
Brugia malayi	beta-lactamase	0.0072	0.0733	0.1518
Schistosoma mansoni	microtubule-associated protein tau	0.0694	0.9929	1
Trypanosoma brucei	hypothetical protein, conserved	0.0072	0.0733	0.1823
Leishmania major	mitochondrial DNA polymerase beta	0.0295	0.4023	1
Echinococcus multilocularis	muscleblind protein 1	0.0314	0.4311	0.4257
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.2522	0.2469
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0072	0.0733	0.1518
Brugia malayi	Muscleblind-like protein	0.0314	0.4311	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0044	0.0309	0.0768
Brugia malayi	Pre-SET motif family protein	0.0203	0.2667	0.6103
Mycobacterium ulcerans	esterase/lipase LipP	0.0072	0.0733	0.3744
Loa Loa (eye worm)	RNA binding protein	0.0193	0.2522	0.5758
Brugia malayi	RNA recognition motif domain containing protein	0.0193	0.2522	0.5758
Loa Loa (eye worm)	beta-lactamase	0.0072	0.0733	0.1518
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0155	0.1959	0.3012
Trichomonas vaginalis	set domain proteins, putative	0.0231	0.3082	1
Leishmania major	hypothetical protein, conserved	0.0072	0.0733	0.1823
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0733	0.1579
Echinococcus granulosus	dna polymerase eta	0.0044	0.0309	0.0233
Plasmodium vivax	SET domain protein, putative	0.0029	0.0093	0.1273
Echinococcus multilocularis	tumor protein p63	0.0699	1	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0211	0.028
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.2522	0.2469
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0466	0.0882
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0023	0	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0072	0.0733	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0276	0.0407
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.1726	0.4291
Onchocerca volvulus		0.0081	0.0863	0.2574
Mycobacterium tuberculosis	Probable esterase LipL	0.0072	0.0733	0.1127
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0733	0.1518
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.0117	0.159
Leishmania major	DNA polymerase eta, putative	0.0044	0.0309	0.0768
Onchocerca volvulus		0.0231	0.3082	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0072	0.0733	0.0646
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.014	0.1726	0.412
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0309	0.0511
Echinococcus granulosus	tar DNA binding protein	0.0193	0.2522	0.2464
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.0276	0.0407
Entamoeba histolytica	hypothetical protein	0.0023	0	0.5
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0072	0.0733	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0733	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0733	0.1518
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0733	0.1518
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0093	0.0016
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.2522	0.2469
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0211	0.028
Loa Loa (eye worm)	hypothetical protein	0.0314	0.4311	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0466	0.0882
Trypanosoma cruzi	hypothetical protein, conserved	0.0072	0.0733	0.1579
Schistosoma mansoni	tar DNA-binding protein	0.0193	0.2522	0.2469
Echinococcus multilocularis	microtubule associated protein 2	0.0694	0.9929	0.9929
Echinococcus granulosus	L aminoadipate semialdehyde	0.0081	0.0863	0.0791
Loa Loa (eye worm)	hypothetical protein	0.0314	0.4311	1
Leishmania major	DNA polymerase eta, putative	0.0031	0.0117	0.029
Echinococcus multilocularis	tar DNA binding protein	0.0193	0.2522	0.2451
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0733	0.1518
Onchocerca volvulus		0.0102	0.1175	0.362
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0051	0.041	0.075
Schistosoma mansoni	DNA polymerase eta	0.0044	0.0309	0.0219
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0072	0.0733	0.0651
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0072	0.0733	0.1127
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0081	0.0863	0.0777
Mycobacterium tuberculosis	Probable lipase LipD	0.0072	0.0733	0.1127
Brugia malayi	beta-lactamase family protein	0.0072	0.0733	0.1518
Echinococcus granulosus	beta LACTamase domain containing family member	0.0072	0.0733	0.0661
Echinococcus multilocularis	dna polymerase eta	0.0044	0.0309	0.0217

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 681411