TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 469.492 | Formula: C26H23N5O4
H donors: 3 H acceptors: 6 LogP: 5.46 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: OCC(Nc1ncc(c(n1)Nc1ccccc1C(=O)c1ccccc1)[N+](=O)[O-])Cc1ccccc1
InChi: 1S/C26H23N5O4/c32-17-20(15-18-9-3-1-4-10-18)28-26-27-16-23(31(34)35)25(30-26)29-22-14-8-7-13-21(22)24(33)19-11-5-2-6-12-19/h1-14,16,20,32H,15,17H2,(H2,27,28,29,30)
InChiKey: LCERCHFLKPCOBL-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
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0193	0.0593	0.2385
Brugia malayi	Endoplasmin precursor	0.0117	0.0308	0.1305
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0117	0.0308	0.053
Plasmodium vivax	heat shock protein 86, putative	0.0117	0.0308	0.0098
Schistosoma mansoni	heat shock protein	0.0117	0.0308	0.1239
Giardia lamblia	DNA topoisomerase III	0.0193	0.0593	0.2108
Leishmania major	DNA topoisomerase ii	0.0472	0.1638	0.2534
Trypanosoma cruzi	heat shock protein 90, putative	0.0104	0.0259	0.0083
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0091	0.0212	0.0544
Leishmania major	DNA topoisomerase III, putative	0.0193	0.0593	0.0677
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0101	0.0249	0.017
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0665	0.236	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.0117	0.0308	0.017
Mycobacterium ulcerans	bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein	0.0289	0.0953	0.0756
Echinococcus multilocularis	heat shock protein	0.0117	0.0308	0.0942
Plasmodium vivax	endoplasmin, putative	0.0117	0.0308	0.0098
Schistosoma mansoni	microtubule-associated protein tau	0.0699	0.2487	1
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0193	0.0593	0.1773
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0212	0.09
Plasmodium vivax	DNA gyrase subunit A, putative	0.0266	0.0869	0.0671
Entamoeba histolytica	heat shock protein 90, putative	0.0117	0.0308	0.028
Mycobacterium ulcerans	DNA topoisomerase I	0.0193	0.0593	0.0389
Mycobacterium tuberculosis	DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0266	0.0869	0.0671
Mycobacterium leprae	PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC	0.0289	0.0953	0.2359
Trypanosoma brucei	heat shock protein, putative	0.0117	0.0308	0.017
Trypanosoma cruzi	heat shock protein 90, putative	0.0117	0.0308	0.017
Echinococcus granulosus	heat shock protein 90	0.0117	0.0308	0.0421
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0472	0.1638	0.2534
Brugia malayi	DNA topoisomerase III	0.0193	0.0593	0.2513
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.006	0.0253
Plasmodium vivax	nicotinate-nucleotide adenylyltransferase, putative	0.0289	0.0953	0.0756
Toxoplasma gondii	heat shock protein HSP90	0.0117	0.0308	0.0173
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Chlamydia trachomatis	DNA gyrase subunit B	0.1776	0.6521	0.6446
Loa Loa (eye worm)	TOPoisomerase family member	0.0665	0.236	1
Mycobacterium leprae	Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.0127	0.0346	0.0428
Brugia malayi	UDP galactose 4'-epimerase	0.0101	0.0249	0.1054
Plasmodium falciparum	DNA topoisomerase 3, putative	0.0193	0.0593	0.0389
Trypanosoma cruzi	heat shock protein 85, putative	0.0117	0.0308	0.017
Echinococcus granulosus	DNA topoisomerase 3 beta 1	0.0193	0.0593	0.1675
Trichomonas vaginalis	heat shock protein, putative	0.0117	0.0308	0.0446
Brugia malayi	heat shock protein 90	0.0117	0.0308	0.1305
Echinococcus multilocularis	neuropeptide s receptor	0.0468	0.1624	0.6412
Loa Loa (eye worm)	DNA topoisomerase III	0.0193	0.0593	0.2513
Toxoplasma gondii	UDP-glucose 4-epimerase	0.0101	0.0249	0.0066
Echinococcus granulosus	heat shock protein	0.0117	0.0308	0.0421
Echinococcus multilocularis	rho GTPase activating protein 20	0.0193	0.0593	0.2128
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0665	0.236	1
Plasmodium falciparum	nicotinamide/nicotinic acid mononucleotide adenylyltransferase	0.0289	0.0953	0.0756
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0193	0.0593	0.0677
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Schistosoma mansoni	heat shock protein	0.0117	0.0308	0.1239
Echinococcus granulosus	neuropeptide receptor A26	0.0468	0.1624	0.6206
Entamoeba histolytica	heat shock protein 90, putative	0.0117	0.0308	0.028
Giardia lamblia	UDP-glucose 4-epimerase	0.0105	0.0264	0.0288
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Trypanosoma brucei	heat shock protein, putative	0.0117	0.0308	0.017
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.1594	0.5839	1
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Plasmodium falciparum	heat shock protein 90	0.0117	0.0308	0.0098
Echinococcus multilocularis	neuropeptide receptor A26	0.0468	0.1624	0.6412
Wolbachia endosymbiont of Brugia malayi	topoisomerase IA, TopA	0.0193	0.0593	0.0389
Trypanosoma cruzi	UDP-galactose 4-epimerase, putative	0.0101	0.0249	0.0065
Mycobacterium leprae	Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase)	0.0929	0.335	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0117	0.0308	0.017
Loa Loa (eye worm)	runx1	0.0056	0.0081	0.0345
Brugia malayi	DNA topoisomerase III beta-1	0.0193	0.0593	0.2513
Trypanosoma brucei	Heat shock protein 83, putative	0.0117	0.0308	0.017
Mycobacterium ulcerans	DNA gyrase subunit A	0.0266	0.0869	0.0671
Leishmania major	DNA topoisomerase III, putative	0.0193	0.0593	0.0677
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.1566	0.5736	1
Toxoplasma gondii	DNA topoisomerase family protein	0.0193	0.0593	0.069
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0091	0.0212	0.0544
Brugia malayi	GRF zinc finger family protein	0.0193	0.0593	0.2513
Trypanosoma brucei	DNA topoisomerase IA, putative	0.0193	0.0593	0.0677
Loa Loa (eye worm)	heat shock protein 90	0.0117	0.0308	0.1305
Trypanosoma brucei	DNA topoisomerase III, putative	0.0193	0.0593	0.0677
Echinococcus granulosus	microtubule associated protein 2	0.0699	0.2487	1
Plasmodium vivax	DNA topoisomerase II, putative	0.0665	0.236	0.2195
Giardia lamblia	DNA topoisomerase II	0.0574	0.2019	1
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Plasmodium falciparum	DNA gyrase subunit A	0.0266	0.0869	0.0671
Schistosoma mansoni	lozenge	0.0056	0.0081	0.0327
Loa Loa (eye worm)	hypothetical protein	0.005	0.006	0.0253
Trypanosoma brucei	heat shock protein 90, putative	0.0117	0.0308	0.017
Treponema pallidum	DNA topoisomerase I (topA)	0.0193	0.0593	0.0389
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.006	0.0253
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Trypanosoma brucei	heat shock protein, putative	0.0117	0.0308	0.017
Loa Loa (eye worm)	hypothetical protein	0.0448	0.155	0.6567
Plasmodium falciparum	DNA gyrase subunit B	0.2705	1	1
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0193	0.0593	0.0677
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0665	0.236	1
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0472	0.1638	0.2534
Toxoplasma gondii	DNA topoisomerase 2, putative	0.0665	0.236	0.3889
Echinococcus granulosus	UDP glucose 4 epimerase	0.0101	0.0249	0.0161
Trypanosoma brucei	DNA topoisomerase III, putative	0.0193	0.0593	0.0677
Trichomonas vaginalis	endoplasmin, putative	0.0104	0.0262	0.0229
Toxoplasma gondii	DNA gyrase/topoisomerase IV, A subunit domain-containing protein	0.0266	0.0869	0.1188
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Loa Loa (eye worm)	DNA topoisomerase III beta-1	0.0193	0.0593	0.2513
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0193	0.0593	0.0677
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0472	0.1638	0.2534
Brugia malayi	hypothetical protein	0.0448	0.155	0.6567
Mycobacterium ulcerans	DNA gyrase subunit B	0.2705	1	1
Echinococcus multilocularis	microtubule associated protein 2	0.0699	0.2487	1
Schistosoma mansoni	UDP-glucose 4-epimerase	0.0101	0.0249	0.1001
Trypanosoma brucei	DNA topoisomerase ii	0.1594	0.5839	1
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Trypanosoma brucei	heat shock protein, putative	0.0117	0.0308	0.017
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Toxoplasma gondii	heat shock protein 90, putative	0.0117	0.0308	0.0173
Echinococcus multilocularis	heat shock protein 90	0.0117	0.0308	0.0942
Trichomonas vaginalis	prokaryotic DNA topoisomerase, putative	0.0193	0.0593	0.1773
Loa Loa (eye worm)	UDP galactose 4'-epimerase	0.0101	0.0249	0.1054
Plasmodium vivax	DNA gyrase subunit B, putative	0.2705	1	1
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.1594	0.5839	1
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.2705	1	1
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Brugia malayi	kinase, mitochondrial precursor	0.0091	0.0212	0.09
Loa Loa (eye worm)	endoplasmin	0.0117	0.0308	0.1305
Mycobacterium leprae	Probable DNA topoisomerase I TopA (omega-protein) (relaxing enzyme) (untwisting enzyme) (swivelase) (type I DNA topoisomerase) (	0.0193	0.0593	0.1214
Plasmodium falciparum	DNA topoisomerase 2	0.0665	0.236	0.2195
Treponema pallidum	hypothetical protein	0.0289	0.0953	0.0756
Echinococcus multilocularis	UDP glucose 4 epimerase	0.0101	0.0249	0.0696
Trichomonas vaginalis	UDP-glucose 4-epimerase, putative	0.0101	0.0249	0.017
Entamoeba histolytica	DNA topoisomerase II, putative	0.0665	0.236	1
Trichomonas vaginalis	NAD dependent epimerase/dehydratase, putative	0.0101	0.0249	0.017
Leishmania major	mitochondrial DNA topoisomerase II	0.1594	0.5839	1
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0665	0.236	1
Trypanosoma brucei	heat shock protein, putative	0.0117	0.0308	0.017
Mycobacterium tuberculosis	Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic	0.0289	0.0953	0.0756
Entamoeba histolytica	DNA topoisomerase III, putative	0.0193	0.0593	0.1631
Schistosoma mansoni	endoplasmin	0.0117	0.0308	0.1239
Leishmania major	DNA topoisomerase 1A	0.0193	0.0593	0.0677
Trichomonas vaginalis	heat shock protein, putative	0.0104	0.0262	0.0229
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0665	0.236	0.9444
Loa Loa (eye worm)	hypothetical protein	0.0448	0.155	0.6567
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0665	0.236	0.9474
Schistosoma mansoni	endoplasmin	0.0117	0.0308	0.1239
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0665	0.236	1
Echinococcus granulosus	neuropeptide s receptor	0.0468	0.1624	0.6206
Echinococcus granulosus	DNA topoisomerase 3 alpha	0.0193	0.0593	0.1675
Trypanosoma brucei	UDP-galactose 4-epimerase	0.0105	0.0264	0.0092
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.2705	1	1
Wolbachia endosymbiont of Brugia malayi	DNA gyrase subunit A	0.0266	0.0869	0.0671
Trypanosoma cruzi	UDP-galactose 4-epimerase	0.0101	0.0249	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0444	0.1534	0.65
Trichomonas vaginalis	DNA topoisomerase II, putative	0.0665	0.236	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0117	0.0308	0.017
Chlamydia trachomatis	DNA topoisomerase I	0.0193	0.0593	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0444	0.1534	0.65
Brugia malayi	Probable DNA topoisomerase II	0.0665	0.236	1
Plasmodium vivax	DNA topoisomerase 3, putative	0.0193	0.0593	0.0389
Chlamydia trachomatis	DNA gyrase subunit A	0.0266	0.0869	0.0671
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0193	0.0593	0.069
Treponema pallidum	DNA gyrase, subunit A (gyrA)	0.0266	0.0869	0.0671
Giardia lamblia	DNA topoisomerase III	0.0193	0.0593	0.2108
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Trypanosoma brucei	heat shock protein, putative	0.0117	0.0308	0.017
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.006	0.0253
Leishmania major	udp-glc 4-epimerase, putative	0.0105	0.0264	0.0092
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.2705	1	1
Trypanosoma brucei	heat shock protein, putative	0.0117	0.0308	0.017
Trypanosoma brucei	heat shock protein 90, putative	0.0117	0.0308	0.017
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0472	0.1638	0.2534
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Trypanosoma brucei	heat shock protein, putative	0.0117	0.0308	0.017
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Plasmodium falciparum	endoplasmin, putative	0.0104	0.0262	0.005
Schistosoma mansoni	prokaryotic DNA topoisomerase	0.0193	0.0593	0.2385
Entamoeba histolytica	DNA topoisomerase III, putative	0.0193	0.0593	0.1631
Echinococcus multilocularis	DNA topoisomerase 3 beta 1	0.0193	0.0593	0.2128
Trypanosoma cruzi	DNA topoisomerase III, putative	0.0193	0.0593	0.0677
Onchocerca volvulus		0.0448	0.155	0.5414
Trypanosoma cruzi	DNA topoisomerase IA, putative	0.0193	0.0593	0.0677
Schistosoma mansoni	pyruvate dehydrogenase	0.0091	0.0212	0.0854
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017
Schistosoma mansoni	DNA topoisomerase II	0.0665	0.236	0.9491
Leishmania major	heat shock protein 83-1	0.0117	0.0308	0.017

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

ChEMBL: CHEMBL1242190

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 996907