TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 418.402 | Formula: C22H18N4O5
H donors: 2 H acceptors: 5 LogP: 4.04 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Oc1cccc2c1N=C(CC(N2)(C)c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[N+](=O)[O-]
InChi: 1S/C22H18N4O5/c1-22(15-6-3-8-17(12-15)26(30)31)13-19(14-5-2-7-16(11-14)25(28)29)23-21-18(24-22)9-4-10-20(21)27/h2-12,24,27H,13H2,1H3
InChiKey: MRCZURZANHMQGF-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
Brugia malayi	Hhat protein	0.0139	0.0186	0.0186
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.003	0.0022
Brugia malayi	diacylglycerol acyltransferase	0.0825	0.1316	0.1316
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.0295	0.0443	0.2006
Schistosoma mansoni	bromodomain containing protein	0.0066	0.0066	0.0057
Loa Loa (eye worm)	MBOAT family protein	0.0139	0.0186	0.0171
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0037	0.0019	0.0011
Trichomonas vaginalis	conserved hypothetical protein	0.0139	0.0186	0.2315
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0139	0.0186	0.0179
Toxoplasma gondii	mono- or diacylglycerol acyltransferase	0.0295	0.0443	0.2029
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.003	0.0024
Trichomonas vaginalis	porcupine, putative	0.0139	0.0186	0.2315
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0015	0.0006
Leishmania major	diacylglycerol acyltransferase, putative	0.0295	0.0443	0.2006
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0015	0.0006
Loa Loa (eye worm)	MBOAT family protein	0.0139	0.0186	0.0171
Trichomonas vaginalis	conserved hypothetical protein	0.0483	0.0753	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.003	0.003
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.003	0.0022
Loa Loa (eye worm)	hhat protein	0.0139	0.0186	0.0171
Leishmania major	diacylglycerol acyltransferase, putative	0.0295	0.0443	0.2006
Brugia malayi	diacylglycerol acyltransferase family protein	0.1331	0.2151	0.2151
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0825	0.1316	0.1303
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.0324	1
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0139	0.0186	0.0177
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0139	0.0186	0.0179
Loa Loa (eye worm)	hhat protein	0.0139	0.0186	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0044	0.003	0.0016
Toxoplasma gondii	Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	0.0162	0.0223	0.1003
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.003	0.0022
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0015	0.0015
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0825	0.1316	0.1308
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0038	0.0023
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0139	0.0186	1
Trichomonas vaginalis	conserved hypothetical protein	0.0483	0.0753	1
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.0295	0.0443	0.2006
Entamoeba histolytica	vacuolar protein sorting 26	0.0139	0.0186	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0049	0.0038	0.0029
Trichomonas vaginalis	conserved hypothetical protein	0.0483	0.0753	1
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0139	0.0186	0.2315
Trypanosoma cruzi	glycerol uptake protein, putative	0.0139	0.0186	0.08
Brugia malayi	Pre-SET motif family protein	0.0031	0.0008	0.0008
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0825	0.1316	0.6103
Schistosoma mansoni	transcription factor LCR-F1	0.0037	0.0019	0.0011
Brugia malayi	beta-lactamase	0.0035	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0186	0.0171
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0015	0.0048
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0062	0.006	0.0051
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.0295	0.0443	0.2006
Trichomonas vaginalis	conserved hypothetical protein	0.0483	0.0753	1
Loa Loa (eye worm)	hypothetical protein	0.004	0.0023	0.0008
Mycobacterium ulcerans	hypothetical protein	0.0295	0.0443	1
Leishmania major	diacylglycerol acyltransferase, putative	0.1331	0.2151	1
Echinococcus multilocularis	sterol O acyltransferase 1	0.0139	0.0186	0.0177
Trichomonas vaginalis	conserved hypothetical protein	0.0139	0.0186	0.2315
Brugia malayi	MBOAT family protein	0.0139	0.0186	0.0186
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0825	0.1316	0.1308
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0139	0.0186	0.0177
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0015	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0049	0.0038	0.0031
Brugia malayi	MBOAT family protein	0.0139	0.0186	0.0186
Trichomonas vaginalis	conserved hypothetical protein	0.0483	0.0753	1
Schistosoma mansoni	hypothetical protein	0.0139	0.0186	0.0177
Echinococcus multilocularis	geminin	0.0176	0.0248	0.024
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0825	0.1316	1
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0139	0.0186	0.0179
Toxoplasma gondii	hypothetical protein	0.0189	0.0268	0.1211
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.003	0.0024
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0062	0.006	0.0053
Leishmania major	glycerol uptake protein, putative	0.0139	0.0186	0.08
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0027	0.0012
Brugia malayi	GNT-I family protein	0.0476	0.0742	0.0742
Toxoplasma gondii	hypothetical protein	0.0139	0.0186	0.0827
Leishmania major	glycerol uptake protein, putative	0.0139	0.0186	0.08
Trichomonas vaginalis	conserved hypothetical protein	0.0483	0.0753	1
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0139	0.0186	0.0179
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.0295	0.0443	0.2006
Toxoplasma gondii	dgat2l1-prov protein	0.1331	0.2151	1
Schistosoma mansoni	beta-12-n-acetylglucosaminyltransferase II	0.6096	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0295	0.0443	0.5794
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0019	0.001
Loa Loa (eye worm)	hypothetical protein	0.6096	1	1
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0139	0.0186	1
Brugia malayi	MBOAT family protein	0.0139	0.0186	0.0186
Trypanosoma brucei	diacylglycerol acyltransferase, putative	0.1331	0.2151	1
Brugia malayi	MBOAT family protein	0.0139	0.0186	0.0186
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0139	0.0186	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0079	0.0064
Brugia malayi	Glycosylation related protein 12, isoform	0.0162	0.0223	0.0223
Brugia malayi	Bromodomain containing protein	0.004	0.0023	0.0023
Onchocerca volvulus		0.0035	0.0015	0.0029
Brugia malayi	beta-lactamase family protein	0.0035	0.0015	0.0015
Trichomonas vaginalis	conserved hypothetical protein	0.0483	0.0753	1
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0186	0.0171
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0186	0.0171
Leishmania major	glycerol uptake protein, putative	0.0139	0.0186	0.08
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0019	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0476	0.0742	0.0728
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.1331	0.2151	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0217	0.0314	0.03
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.003	0.0022
Leishmania major	hypothetical protein, unknown function,protein, unknown function	0.0295	0.0443	0.2006
Loa Loa (eye worm)	hypothetical protein	0.0162	0.0223	0.0209
Echinococcus granulosus	geminin	0.0176	0.0248	0.0241
Onchocerca volvulus		0.0139	0.0186	0.0827
Onchocerca volvulus		0.0035	0.0015	0.0029
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0139	0.0186	0.0179
Loa Loa (eye worm)	MBOAT family protein	0.0139	0.0186	0.0171
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.003	0.0022
Trypanosoma brucei	glycerol uptake protein, putative	0.0139	0.0186	0.08
Trypanosoma cruzi	GUP1, putative	0.0139	0.0186	0.08
Schistosoma mansoni	hypothetical protein	0.0176	0.0248	0.024
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0049	0.0038	0.0029
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.1331	0.2151	0.2144
Loa Loa (eye worm)	hypothetical protein	0.0476	0.0742	0.0728
Echinococcus granulosus	alpha 16 mannosyl glycoprotein	0.6096	1	1
Schistosoma mansoni	diacylglycerol O-acyltransferase	0.0295	0.0443	0.0435
Echinococcus granulosus	alpha 13 mannosyl glycoprotein	0.0476	0.0742	0.0736
Trichomonas vaginalis	conserved hypothetical protein	0.0139	0.0186	0.2315
Loa Loa (eye worm)	hypothetical protein	0.0139	0.0186	0.0171
Onchocerca volvulus		0.1331	0.2151	1
Brugia malayi	MBOAT family protein	0.0139	0.0186	0.0186
Onchocerca volvulus		0.0035	0.0015	0.0029
Trichomonas vaginalis	conserved hypothetical protein	0.0483	0.0753	1
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0139	0.0186	0.0177
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0015	0.0006
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0037	0.0019	0.0012
Schistosoma mansoni	zinc finger protein	0.0139	0.0186	0.0177
Schistosoma mansoni	hypothetical protein	0.0037	0.0019	0.0011
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0015	0.0008
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0139	0.0186	0.0177
Brugia malayi	beta-lactamase family protein	0.0035	0.0015	0.0015
Schistosoma mansoni	hypothetical protein	0.0176	0.0248	0.024
Trypanosoma cruzi	glycerol uptake protein, putative	0.0139	0.0186	0.08
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0139	0.0186	0.0177
Leishmania major	hypothetical protein, conserved	0.0139	0.0186	0.08
Brugia malayi	Bromodomain containing protein	0.0078	0.0086	0.0086
Trypanosoma brucei	glycerol uptake protein, putative	0.0139	0.0186	0.08
Schistosoma mansoni	sterol O-acyltransferase 1	0.0139	0.0186	0.0177
Schistosoma mansoni	hypothetical protein	0.0295	0.0443	0.0435
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0825	0.1316	0.6103
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0049	0.0038	0.0029
Brugia malayi	Pre-SET motif family protein	0.0217	0.0314	0.0314
Trichomonas vaginalis	set domain proteins, putative	0.0247	0.0363	0.4722
Trypanosoma cruzi	glycerol uptake protein, putative	0.0139	0.0186	0.08
Brugia malayi	hypothetical protein	0.0037	0.0019	0.0019
Trypanosoma cruzi	GUP1, putative	0.0139	0.0186	0.08
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0825	0.1316	0.5
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0015	0.5
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0139	0.0186	0.0177
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.003	0.0016
Toxoplasma gondii	ABC1 family protein	0.0035	0.0015	0.0029
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0825	0.1316	0.131
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0139	0.0186	0.0179
Schistosoma mansoni	diacylglycerol O-acyltransferase	0.0295	0.0443	0.0435
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0139	0.0186	0.0171
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0139	0.0186	0.0177
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.1331	0.2151	1
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0139	0.0186	0.0177
Toxoplasma gondii	diacylglycerol acyltransferase	0.0295	0.0443	0.2029
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0139	0.0186	0.0177
Trypanosoma brucei	diacylglycerol acyltransferase, putative	0.0295	0.0443	0.2006
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0139	0.0186	0.0177
Echinococcus multilocularis	alpha 1,6 mannosyl glycoprotein	0.6096	1	1
Loa Loa (eye worm)	hypothetical protein	0.0686	0.1087	0.1074
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0139	0.0186	0.0179
Echinococcus multilocularis	alpha 1,3 mannosyl glycoprotein	0.0476	0.0742	0.0734
Entamoeba histolytica	hypothetical protein	0.0139	0.0186	1
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0139	0.0186	0.0177
Echinococcus granulosus	sterol O acyltransferase 1	0.0139	0.0186	0.0179
Leishmania major	glycerol uptake protein, putative	0.0139	0.0186	0.08
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0139	0.0186	1
Treponema pallidum	alginate O-acetylation protein (algI)	0.0139	0.0186	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0139	0.0186	1
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.1331	0.2151	0.2139
Onchocerca volvulus		0.0247	0.0363	0.1657
Schistosoma mansoni	alpha-13-mannosyl-glycoprotein beta-1 2-n-acetylglucosaminyltransferase	0.0476	0.0742	0.0734
Leishmania major	glycerol uptake protein, putative	0.0139	0.0186	0.08

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: CHEMBL1631879

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 1463182