TDR Targets

Basic information

Technical information

TDR Targets ID: 645520
Name: ZINC02637092
MW: 362.379 | Formula: C21H18N2O4
H donors: 1 H acceptors: 3 LogP: 4.19 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1NC(=O)C(c1ccccc1)c1ccccc1)[N+](=O)[O-]
InChi: 1S/C21H18N2O4/c1-27-19-13-12-17(23(25)26)14-18(19)22-21(24)20(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14,20H,1H3,(H,22,24)
InChiKey: NRKSHUDWCDVCBF-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

Oprea1_639956
STK127555

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
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0067	0.0137
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0067	0.0219
Echinococcus granulosus	lamin dm0	0.0055	0.0457	0.1342
Echinococcus granulosus	geminin	0.0172	0.1864	0.5471
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0303	0.0831
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0246	0.0914
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0246	0.0914
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0021	0.0042	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.002	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.024	0.2688	1
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0067	0.0137
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0343	0.1006
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0246	0.0721
Schistosoma mansoni	hypothetical protein	0.0047	0.0365	0.1071
Echinococcus multilocularis	lamin	0.0055	0.0457	0.0457
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0246	0.0745
Trichomonas vaginalis	glutaminase, putative	0.027	0.3047	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0159	0.1706	0.6348
Schistosoma mansoni	ran	0.0021	0.0042	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0246	0.2759	0.8087
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0299	0.3407	1
Entamoeba histolytica	heat shock transcription factor, putative	0.0098	0.0973	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0125	0.1295	0.3765
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0343	0.1006
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0019	0.002	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0457	0.1291
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0246	0.0666
Loa Loa (eye worm)	intermediate filament protein	0.0055	0.0457	0.1291
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0067	0.0219
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0343	0.0343
Brugia malayi	Calcitonin receptor-like protein seb-1	0.015	0.1601	0.5223
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0042	0.0063
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0343	0.1006
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.1512	0.438
Schistosoma mansoni	hypothetical protein	0.0172	0.1864	0.5471
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0301	0.3426	1
Entamoeba histolytica	heat shock transcription factor, putative	0.0098	0.0973	1
Leishmania major	mitochondrial DNA polymerase beta	0.0301	0.3426	1
Echinococcus granulosus	snurportin 1	0.0299	0.3407	1
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0042	0.1935
Brugia malayi	Intermediate filament tail domain containing protein	0.0055	0.0457	0.1444
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0301	0.3426	1
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0113	0.0332
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0246	0.0806
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0246	0.0662
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0246	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0246	0.0666
Schistosoma mansoni	glutaminase	0.027	0.3047	0.8945
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0042	0.0951
Loa Loa (eye worm)	hypothetical protein	0.0246	0.2759	0.8087
Echinococcus multilocularis	GPCR, family 2	0.0047	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0365	0.1018
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0067	0.0219
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0246	0.0806
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0246	0.0806
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0246	0.0666
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0246	0.0806
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0142	0.1512	0.438
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0246	0.0914
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0246	0.0914
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0042	0.0078
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.015	0.1601	0.5223
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0343	0.1066
Entamoeba histolytica	heat shock transcription factor, putative	0.0098	0.0973	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0246	0.0662
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0019	0.002	0.0075
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0047	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0445	0.1255
Schistosoma mansoni	hypothetical protein	0.0047	0.0365	0.1071
Brugia malayi	HSF-type DNA-binding domain containing protein	0.0098	0.0973	0.3148
Schistosoma mansoni	hypothetical protein	0.0172	0.1864	0.5471
Toxoplasma gondii	hypothetical protein	0.0246	0.2759	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0113	0.0275
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0973	0.2814
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0042	0.0071
Schistosoma mansoni	lamin	0.0055	0.0457	0.1342
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0301	0.3426	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0101	0.0239
Toxoplasma gondii	hypothetical protein	0.0049	0.0378	0.1308
Schistosoma mansoni	hypothetical protein	0.0102	0.1029	0.302
Onchocerca volvulus	Heat shock factor protein 2 homolog	0.0098	0.0973	1
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0174	0.1892	0.7039
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0131	0.0325
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0174	0.1892	0.6209
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0246	0.0806
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0246	0.0721
Schistosoma mansoni	hypothetical protein	0.0299	0.3407	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0101	0.0239
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.002	0.0066
Toxoplasma gondii	ABC1 family protein	0.0038	0.0246	0.0823
Mycobacterium ulcerans	lipase LipD	0.0038	0.0246	0.0806
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.0415	0.116
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0055	0.0457	0.1291
Brugia malayi	intermediate filament protein	0.0055	0.0457	0.1444
Onchocerca volvulus		0.0055	0.0457	0.2909
Brugia malayi	beta-lactamase	0.0038	0.0246	0.0745
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0246	0.2759	0.8087
Echinococcus multilocularis	snurportin 1	0.0299	0.3407	0.3407
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0246	0.0666
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0131	0.4915
Schistosoma mansoni	intermediate filament proteins	0.0055	0.0457	0.1342
Schistosoma mansoni	ap endonuclease	0.0019	0.002	0.0059
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0343	0.1006
Plasmodium falciparum	importin beta, putative	0.0028	0.0131	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0142	0.1512	0.438
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0246	0.0662
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0246	0.0806
Brugia malayi	RNA, U transporter 1	0.008	0.0755	0.2428
Schistosoma mansoni	lamin	0.0055	0.0457	0.1342
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0047	0.0365	0.1071
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0047	0.0365	0.0365
Loa Loa (eye worm)	hypothetical protein	0.0102	0.1029	0.2979
Brugia malayi	cytoplasmic intermediate filament protein	0.003	0.0148	0.0424
Schistosoma mansoni	hypothetical protein	0.0047	0.0365	0.1071
Trichomonas vaginalis	esterase, putative	0.0038	0.0246	0.0806
Schistosoma mansoni	importin beta-1	0.0028	0.0131	0.0384
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0303	0.0831
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0042	0.0122
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.0303	0.0831
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0042	0.0042
Entamoeba histolytica	hypothetical protein	0.0023	0.0067	0.0491
Brugia malayi	MH2 domain containing protein	0.0125	0.1295	0.4212
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0047	0.0365	0.1018
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0246	0.0806
Brugia malayi	beta-lactamase family protein	0.0038	0.0246	0.0745
Brugia malayi	beta-lactamase family protein	0.0038	0.0246	0.0745
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.003	0.0148	0.0379
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.002	0.002
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0047	0.0365	0.1071
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0131	0.0325
Onchocerca volvulus		0.0055	0.0457	0.2909
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0042	0.0063
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0047	0.0365	0.1138
Loa Loa (eye worm)	hypothetical protein	0.0246	0.2759	0.8087
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0246	0.0806
Echinococcus granulosus	intermediate filament protein	0.0055	0.0457	0.1342
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0246	0.0914
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0246	0.0914
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0042	0.0063
Loa Loa (eye worm)	hypothetical protein	0.015	0.1601	0.4669
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.015	0.1601	0.4669
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0246	0.0914
Echinococcus multilocularis	geminin	0.0172	0.1864	0.1864
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0246	0.0666
Loa Loa (eye worm)	glutaminase	0.027	0.3047	0.8939
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0246	0.0666
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0246	1
Brugia malayi	Latrophilin receptor protein 2	0.0047	0.0365	0.1138
Leishmania major	GTP-binding protein, putative	0.0021	0.0042	0.0063
Loa Loa (eye worm)	glutaminase 2	0.027	0.3047	0.8939
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.0303	0.0831
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0343	0.0953
Echinococcus multilocularis	lamin dm0	0.0055	0.0457	0.0457
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0131	0.0384
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0246	0.0914
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.002	0.0059
Schistosoma mansoni	hypothetical protein	0.0047	0.0365	0.1071
Brugia malayi	Importin beta-1 subunit	0.0028	0.0131	0.0366
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.002	0.0066
Trichomonas vaginalis	ran, putative	0.0021	0.0042	0.0136
Echinococcus granulosus	lamin	0.0055	0.0457	0.1342
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0246	0.0246
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.002	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0246	0.0666
Brugia malayi	glutaminase DH11.1	0.027	0.3047	1
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0246	1
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0113	0.0113
Leishmania major	hypothetical protein, conserved	0.0038	0.0246	0.0662
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0131	0.0131
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0246	0.0914
Loa Loa (eye worm)	MH2 domain-containing protein	0.0125	0.1295	0.3765
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0131	0.0327
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0246	0.0806
Echinococcus multilocularis	musashi	0.0055	0.0457	0.0457
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0343	0.0343
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0131	0.0405
Mycobacterium ulcerans	hypothetical protein	0.0159	0.1706	0.5599
Schistosoma mansoni	ran	0.0021	0.0042	0.0122
Echinococcus granulosus	GPCR family 2	0.0047	0.0365	0.1071
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0246	0.0914
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0343	0.1006
Schistosoma mansoni	ap endonuclease	0.0019	0.002	0.0059
Entamoeba histolytica	Ran family GTPase	0.0021	0.0042	0.0225
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0246	0.0721
Mycobacterium ulcerans	glutaminase	0.027	0.3047	1
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0042	0.0063
Brugia malayi	latrophilin 2 splice variant baaae	0.0102	0.1029	0.3333
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0246	0.0666

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 645520