TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 334.238 | Formula: C14H10N2O8
H donors: 3 H acceptors: 7 LogP: 1.97 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O/C(=C\1/C(=O)OC(=O)C(=C1O)C(=O)C)/Nc1ccc(cc1)[N+](=O)[O-]
InChi: 1S/C14H10N2O8/c1-6(17)9-11(18)10(14(21)24-13(9)20)12(19)15-7-2-4-8(5-3-7)16(22)23/h2-5,15,18-19H,1H3/b12-10+
InChiKey: ITIWEYUKSZRSCV-ZRDIBKRKSA-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
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0055	0.2552	0.9302
Mycobacterium leprae	PROBABLE THIOESTERASE TESA	0.0024	0.073	0.0479
Mycobacterium tuberculosis	Probable polyketide synthase Pks8	0.0023	0.0703	0.1113
Brugia malayi	oxidoreductase, zinc-binding dehydrogenase family protein	0.0054	0.2536	0.2335
Loa Loa (eye worm)	RNA binding protein	0.0073	0.3641	0.358
Onchocerca volvulus	Fatty acid synthase homolog	0.0052	0.2379	0.7144
Mycobacterium ulcerans	hypothetical protein	0.0055	0.2552	0.2351
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2552	0.2481
Leishmania major	4-coumarate:coa ligase-like protein	0.0055	0.2552	0.708
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0263	0.0417
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.018	1	1
Mycobacterium tuberculosis	Peptide synthetase MbtE (peptide synthase)	0.0019	0.0435	0.0689
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.018	1	1
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0023	0.0681	0.0429
Plasmodium falciparum	acyl-CoA synthetase	0.0041	0.1733	0.1663
Mycobacterium tuberculosis	Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0263	0.0417
Leishmania major	4-coumarate:coa ligase-like protein	0.0055	0.2552	0.708
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0263	0.0417
Mycobacterium tuberculosis	Probable polyketide synthase Pks5	0.0028	0.0961	0.1521
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1733	0.1654
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0041	0.1733	0.2743
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3641	0.3469
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0016	0.0263	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0265	0.0172
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0071	0.3496	0.332
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0019	0.0435	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2552	0.2481
Mycobacterium tuberculosis	Polyketide synthase Pks2	0.0028	0.0961	0.1521
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0029	0.1013	0.1604
Loa Loa (eye worm)	oxidoreductase	0.0016	0.0263	0.0171
Mycobacterium ulcerans	thioesterase TesA	0.0024	0.073	0.0479
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2552	0.2481
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0057	0.2724	1
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3641	0.3469
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSD	0.0029	0.1013	0.077
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0071	0.3496	0.332
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0055	0.2552	0.404
Mycobacterium ulcerans	polyketide synthase	0.0029	0.1013	0.077
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.018	1	1
Mycobacterium tuberculosis	Probable multifunctional mycocerosic acid synthase membrane-associated Mas	0.003	0.1119	0.1771
Loa Loa (eye worm)	fatty acid synthase	0.0028	0.0991	0.0905
Brugia malayi	RNA binding protein	0.0073	0.3641	0.3469
Mycobacterium ulcerans	polyketide synthase	0.003	0.1119	0.0879
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.018	1	1
Mycobacterium tuberculosis	Probable polyketide synthase Pks9	0.0016	0.0279	0.0442
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0071	0.3496	0.332
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1733	0.1654
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0073	0.3641	0.358
Plasmodium falciparum	acetyl-CoA synthetase, putative	0.0016	0.0263	0.0181
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.018	1	1
Mycobacterium ulcerans	multifunctional mycocerosic acid synthase membrane-associated Mas	0.003	0.1119	0.0879
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSE	0.0019	0.0437	0.0178
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0016	0.0263	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0263	0.0171
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0062	0.2968	0.2901
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0055	0.2552	0.2351
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0062	0.2994	0.2935
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.0435	0.0176
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0055	0.2552	0.2351
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.1601	0.2534
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3641	0.3469
Toxoplasma gondii	type I fatty acid synthase, putative	0.0033	0.1251	0.1014
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0055	0.2552	0.2351
Loa Loa (eye worm)	hypothetical protein	0.005	0.2302	0.2229
Echinococcus multilocularis	tar DNA binding protein	0.0073	0.3641	0.3469
Echinococcus granulosus	tar DNA binding protein	0.0073	0.3641	0.3469
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0016	0.0263	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0263	0.0171
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0016	0.0263	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0055	0.2552	0.2351
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1733	0.1654
Mycobacterium tuberculosis	Polyketide synthase Pks13	0.0043	0.1855	0.2936
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.003	0.1119	0.0879
Mycobacterium tuberculosis	Probable polyketide synthase Pks1	0.0021	0.0534	0.0845
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsC	0.0029	0.1013	0.1604
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0016	0.0263	0.5
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0029	0.1013	0.077
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3641	0.3469
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0071	0.3496	1
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSB	0.0023	0.0681	0.0429
Mycobacterium tuberculosis	Probable polyketide synthase Pks7	0.003	0.1119	0.1771
Mycobacterium leprae	ATP-dependent Clp protease proteolytic subunit 1	0.0062	0.2994	0.2805
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtF	0.0019	0.0435	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1733	0.1654
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.018	1	0.5
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0071	0.3496	0.332
Leishmania major	4-coumarate:coa ligase-like protein	0.0055	0.2552	0.708
Mycobacterium tuberculosis	Probable peptide synthetase Nrp (peptide synthase)	0.0019	0.0435	0.0689
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0041	0.1733	0.151
Brugia malayi	AMP-binding enzyme family protein	0.0055	0.2552	0.2351
Onchocerca volvulus		0.0066	0.3224	1
Mycobacterium leprae	Polyketide synthase Pks13	0.0043	0.1855	0.1634
Mycobacterium tuberculosis	Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0016	0.0263	0.0417
Schistosoma mansoni	tar DNA-binding protein	0.0073	0.3641	0.3469
Mycobacterium tuberculosis	Phenolpthiocerol synthesis type-I polyketide synthase PpsA	0.0029	0.1013	0.1604
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0118	0.6318	1
Mycobacterium tuberculosis	P-hydroxybenzoyl-AMP ligase FadD22	0.0019	0.0435	0.0689
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0055	0.2552	0.2351
Toxoplasma gondii	AMP-binding enzyme domain-containing protein	0.0017	0.0304	0.0042
Mycobacterium tuberculosis	Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase)	0.0016	0.0263	0.0417
Echinococcus granulosus	peptidase Clp S14 family	0.0118	0.6318	0.6218
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSA	0.0029	0.1013	0.077
Plasmodium vivax	acyl-CoA synthetase, putative	0.0041	0.1733	0.1663
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsE	0.0019	0.0437	0.0178
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsD	0.0029	0.1013	0.077
Mycobacterium ulcerans	polyketide synthase Pks9	0.0019	0.0437	0.0178
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1733	0.1654
Mycobacterium tuberculosis	Peptide synthetase MbtF (peptide synthase)	0.0019	0.0435	0.0689
Mycobacterium tuberculosis	Phenyloxazoline synthase MbtB (phenyloxazoline synthetase)	0.0043	0.1853	0.2933
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0071	0.3496	0.332
Mycobacterium leprae	Probable fatty-acid-CoA synthetase FadD22 (fatty-acid-CoA ligase) (fatty-acid-CoA synthase)	0.0019	0.0435	0.0176
Mycobacterium ulcerans	polyketide synthase Pks13	0.0043	0.1855	0.1634
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.1601	0.2534
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.018	1	1
Mycobacterium ulcerans	phenyloxazoline synthase MbtB	0.0019	0.0435	0.0176
Entamoeba histolytica	acyl-coA synthetase, putative	0.0055	0.2552	0.9302
Mycobacterium tuberculosis	Probable thioesterase TesA	0.0024	0.073	0.1155
Mycobacterium tuberculosis	Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase	0.0016	0.0263	0.0417
Mycobacterium leprae	PHENOLPTHIOCEROL SYNTHESIS TYPE-I POLYKETIDE SYNTHASE PPSC	0.003	0.1119	0.0879
Mycobacterium ulcerans	phenolpthiocerol synthesis type-I polyketide synthase PpsB	0.0023	0.0681	0.0429
Mycobacterium tuberculosis	PROBABLE FATTY-ACID-CoA LIGASE FADD18 (FRAGMENT) (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0014	0.0131	0.0208
Brugia malayi	AMP-binding enzyme family protein	0.0055	0.2552	0.2351
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.018	1	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0055	0.2552	0.2351
Mycobacterium leprae	Probable polyketide synthase Pks1	0.003	0.1119	0.0879
Loa Loa (eye worm)	hypothetical protein	0.018	1	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0118	0.6318	0.6218
Onchocerca volvulus		0.0028	0.0963	0.2363
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0071	0.3496	0.332
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.1601	0.2534
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0118	0.6318	0.6218
Mycobacterium leprae	Probable multifunctional mycocerosic acid synthase membrane associated enzyme Mas	0.003	0.1119	0.0879
Toxoplasma gondii	type I fatty acid synthase, putative	0.002	0.0523	0.0267
Brugia malayi	Beta-ketoacyl synthase, N-terminal domain containing protein	0.0029	0.1013	0.077
Mycobacterium tuberculosis	Polyketide synthase Pks12	0.003	0.1119	0.1771
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0016	0.0263	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0073	0.3641	0.3469
Mycobacterium ulcerans	thioesterase	0.0024	0.073	0.0479
Mycobacterium ulcerans	non-ribosomal peptide synthetase MbtE	0.0019	0.0435	0.0176
Brugia malayi	AMP-binding enzyme family protein	0.0055	0.2552	0.2351
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0029	0.1013	0.077
Onchocerca volvulus		0.0055	0.2552	0.773
Mycobacterium ulcerans	Type I modular polyketide synthase	0.0029	0.1013	0.077
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0071	0.3496	0.5534
Trichomonas vaginalis	antibiotic synthetase, putative	0.0016	0.0263	0.5
Plasmodium vivax	acetyl-CoA synthetase, putative	0.0016	0.0263	0.0181
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.018	1	1
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0118	0.6318	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0016	0.0263	0.0171
Loa Loa (eye worm)	TAR-binding protein	0.0073	0.3641	0.358
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0055	0.2552	0.2351
Schistosoma mansoni	peptidase Clp (S14 family)	0.018	1	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.018	1	1
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0043	0.1853	0.1775
Brugia malayi	AMP-binding enzyme family protein	0.0043	0.1853	0.1632
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0039	0.1601	0.2534
Toxoplasma gondii	beta-ketoacyl synthase, N-terminal domain-containing protein	0.0019	0.0416	0.0156
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0062	0.2994	0.2935
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0055	0.2552	0.404
Mycobacterium ulcerans	acyl-CoA synthetase	0.0055	0.2552	0.2351
Trichomonas vaginalis	antibiotic synthetase, putative	0.0016	0.0263	0.5
Toxoplasma gondii	hypothetical protein	0.0062	0.2994	0.2805
Mycobacterium ulcerans	acyl-CoA synthetase	0.0055	0.2552	0.2351
Onchocerca volvulus		0.0043	0.1853	0.5368
Mycobacterium tuberculosis	Probable membrane bound polyketide synthase Pks6	0.0043	0.1855	0.2936
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.018	1	1
Brugia malayi	TAR-binding protein	0.0073	0.3641	0.3469
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.018	1	1
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.018	1	1
Mycobacterium ulcerans	peptide synthetase Nrp (peptide synthase)	0.0019	0.0435	0.0176

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: CHEMBL3230014

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1863668