TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 447.526 | Formula: C26H29N3O4
H donors: 1 H acceptors: 4 LogP: 4.45 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(CC(=O)N1C(c2ccc(cc2)[N+](=O)[O-])C2=C(O)CC(CC2=Nc2c1cccc2)(C)C)C
InChi: 1S/C26H29N3O4/c1-16(2)13-23(31)28-21-8-6-5-7-19(21)27-20-14-26(3,4)15-22(30)24(20)25(28)17-9-11-18(12-10-17)29(32)33/h5-12,16,25,30H,13-15H2,1-4H3
InChiKey: XNEVWKGSYJRTPM-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
Loa Loa (eye worm)	nuclear factor I	0.0029	0.0103	0.0047
Loa Loa (eye worm)	TAR-binding protein	0.0407	0.3208	0.3169
Entamoeba histolytica	hypothetical protein	0.0041	0.0197	0.5
Brugia malayi	MH1 domain containing protein	0.0029	0.0103	0.0103
Echinococcus granulosus	Smad4	0.0053	0.0298	0.0767
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0162	0.1191	0.1191
Echinococcus multilocularis	GPCR, family 2	0.0051	0.0282	0.0715
Echinococcus multilocularis	isocitrate dehydrogenase	0.0035	0.0148	0.0289
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0035	0.0148	1
Loa Loa (eye worm)	Smad1	0.0053	0.0298	0.0243
Loa Loa (eye worm)	MH1 domain-containing protein	0.0053	0.0298	0.0243
Brugia malayi	mothers against decapentaplegic homolog 3	0.0024	0.0057	0.0057
Echinococcus granulosus	mothers against decapentaplegic 5	0.0053	0.0298	0.0767
Schistosoma mansoni	transcription factor LCR-F1	0.0041	0.0197	0.0141
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0407	0.3208	0.3169
Schistosoma mansoni	Smad4	0.0053	0.0298	0.0243
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0053	0.0298	0.0243
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0051	0.0282	0.0227
Loa Loa (eye worm)	glutaminase 2	0.1232	1	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0035	0.0148	0.0289
Brugia malayi	MH1 domain containing protein	0.0029	0.0103	0.0103
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0035	0.0148	0.0092
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0103	0.0047
Brugia malayi	hypothetical protein	0.0172	0.1278	0.1278
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0282	0.0227
Brugia malayi	MH1 domain containing protein	0.0053	0.0298	0.0298
Brugia malayi	Isocitrate dehydrogenase	0.0035	0.0148	0.0148
Entamoeba histolytica	hypothetical protein	0.0041	0.0197	0.5
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0035	0.0148	1
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0035	0.0148	1
Echinococcus multilocularis	Smad4	0.0053	0.0298	0.0767
Entamoeba histolytica	hypothetical protein	0.0041	0.0197	0.5
Brugia malayi	Latrophilin receptor protein 2	0.0051	0.0282	0.0282
Loa Loa (eye worm)	glutaminase	0.1232	1	1
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0053	0.0298	0.0767
Schistosoma mansoni	tar DNA-binding protein	0.0407	0.3208	0.3169
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0035	0.0148	0.0289
Loa Loa (eye worm)	hypothetical protein	0.011	0.077	0.0718
Schistosoma mansoni	smad1 5 8 and	0.0053	0.0298	0.0243
Brugia malayi	MH2 domain containing protein	0.0779	0.6274	0.6274
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0035	0.0148	0.5
Loa Loa (eye worm)	hypothetical protein	0.0162	0.1191	0.1141
Schistosoma mansoni	hypothetical protein	0.0051	0.0282	0.0227
Brugia malayi	hypothetical protein	0.0041	0.0197	0.0197
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0051	0.0282	0.0715
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0035	0.0148	0.0289
Onchocerca volvulus		0.0172	0.1278	0.8218
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0204	0.1543	1
Brugia malayi	RNA recognition motif domain containing protein	0.0407	0.3208	0.3208
Loa Loa (eye worm)	MH2 domain-containing protein	0.0053	0.0298	0.0243
Brugia malayi	latrophilin 2 splice variant baaae	0.011	0.077	0.077
Loa Loa (eye worm)	RNA binding protein	0.0407	0.3208	0.3169
Schistosoma mansoni	glutaminase	0.1232	1	1
Schistosoma mansoni	smad	0.0053	0.0298	0.0243
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0162	0.1191	0.1141
Brugia malayi	Smad1	0.0053	0.0298	0.0298
Brugia malayi	MH2 domain containing protein	0.0053	0.0298	0.0298
Schistosoma mansoni	hypothetical protein	0.0051	0.0282	0.0227
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0035	0.0148	1
Schistosoma mansoni	hypothetical protein	0.0051	0.0282	0.0227
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0035	0.0148	1
Schistosoma mansoni	tar DNA-binding protein	0.0407	0.3208	0.3169
Brugia malayi	RNA binding protein	0.0407	0.3208	0.3208
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0035	0.0148	0.0289
Brugia malayi	N-terminal motif family protein	0.0204	0.1543	0.1543
Brugia malayi	MH2 domain containing protein	0.0024	0.0057	0.0057
Echinococcus granulosus	smad	0.0053	0.0298	0.0767
Schistosoma mansoni	hypothetical protein	0.0051	0.0282	0.0227
Echinococcus granulosus	tar DNA binding protein	0.0407	0.3208	1
Mycobacterium ulcerans	glutaminase	0.1232	1	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0051	0.0282	0.0715
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0041	0.0197	0.0444
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0051	0.0282	0.0715
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0053	0.0298	0.0767
Schistosoma mansoni	smad1 5 8 and	0.0053	0.0298	0.0243
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0035	0.0148	1
Echinococcus granulosus	GPCR family 2	0.0051	0.0282	0.0715
Brugia malayi	hypothetical protein	0.0026	0.0076	0.0076
Entamoeba histolytica	hypothetical protein	0.0041	0.0197	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0779	0.6274	0.6252
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0076	0.0019
Schistosoma mansoni	tar DNA-binding protein	0.0407	0.3208	0.3169
Schistosoma mansoni	tar DNA-binding protein	0.0407	0.3208	0.3169
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0162	0.1191	0.1191
Loa Loa (eye worm)	hypothetical protein	0.0204	0.1543	0.1495
Brugia malayi	MH1 domain containing protein	0.0053	0.0298	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0172	0.1278	0.1229
Toxoplasma gondii	isocitrate dehydrogenase	0.0035	0.0148	1
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0035	0.0148	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0779	0.6274	0.6252
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0053	0.0298	0.0767
Schistosoma mansoni	hypothetical protein	0.0041	0.0197	0.0141
Brugia malayi	MH2 domain containing protein	0.0053	0.0298	0.0298
Schistosoma mansoni	smad1 5 8 and	0.0053	0.0298	0.0243
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0051	0.0282	0.0282
Trichomonas vaginalis	glutaminase, putative	0.1232	1	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0407	0.3208	0.3169
Toxoplasma gondii	isocitrate dehydrogenase	0.0035	0.0148	1
Brugia malayi	TAR-binding protein	0.0407	0.3208	0.3208
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0035	0.0148	0.0289
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0051	0.0282	0.0715
Echinococcus multilocularis	smad	0.0053	0.0298	0.0767
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0035	0.0148	0.0092
Brugia malayi	isocitrate dehydrogenase	0.0035	0.0148	0.0148
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0041	0.0197	0.0444
Schistosoma mansoni	hypothetical protein	0.011	0.077	0.0718
Echinococcus multilocularis	tar DNA binding protein	0.0407	0.3208	1

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 893255