TDR Targets

Basic information

Technical information

TDR Targets ID: 702588
Name: 2-chloro-N-[1-(4-methylphenyl)-4-oxopyrazolo[ 5,4-d]pyrimidin-5-yl]-5-nitrobenzamide
MW: 424.797 | Formula: C19H13ClN6O4
H donors: 1 H acceptors: 5 LogP: 3.18 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)n1ncc2c1ncn(c2=O)NC(=O)c1cc(ccc1Cl)[N+](=O)[O-]
InChi: 1S/C19H13ClN6O4/c1-11-2-4-12(5-3-11)25-17-15(9-22-25)19(28)24(10-21-17)23-18(27)14-8-13(26(29)30)6-7-16(14)20/h2-10H,1H3,(H,23,27)
InChiKey: NHXHFCIUHWXBRR-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

2-chloro-N-[1-(4-methylphenyl)-4-oxo-pyrazolo[5,4-d]pyrimidin-5-yl]-5-nitro-benzamide
2-chloro-N-[1-(4-methylphenyl)-4-oxo-5-pyrazolo[5,4-d]pyrimidinyl]-5-nitrobenzamide
2-chloro-N-[4-keto-1-(4-methylphenyl)pyrazolo[5,4-d]pyrimidin-5-yl]-5-nitro-benzamide

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
Echinococcus granulosus	tar DNA binding protein	0.0132	0.3603	0.3603
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.014	0.0432
Brugia malayi	beta-lactamase	0.0039	0.0634	0.0899
Brugia malayi	intermediate filament protein	0.0055	0.1134	0.1607
Schistosoma mansoni	hypothetical protein	0.0331	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1766	1
Echinococcus multilocularis	lamin	0.0055	0.1134	0.1134
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0051	0.101	0.101
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0634	0.0899
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1134	0.1607
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.014	0.079
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0051	0.101	0.1432
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0634	0.3592
Brugia malayi	RNA recognition motif domain containing protein	0.0132	0.3603	0.5107
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0634	0.0634
Loa Loa (eye worm)	hypothetical protein	0.0026	0.019	0.0269
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1766	1
Onchocerca volvulus		0.0039	0.0634	0.5595
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.3603	0.3603
Echinococcus multilocularis	tar DNA binding protein	0.0132	0.3603	0.3603
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0051	0.101	0.101
Schistosoma mansoni	ets-related	0.0209	0.607	0.607
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0634	1
Entamoeba histolytica	hypothetical protein	0.0116	0.3083	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0039	0.0634	0.0899
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.1766	1
Echinococcus granulosus	lamin	0.0055	0.1134	0.1134
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0893	0.1266
Echinococcus granulosus	survival motor neuron protein 1	0.024	0.7055	0.7055
Loa Loa (eye worm)	hypothetical protein	0.0161	0.4551	0.6451
Loa Loa (eye worm)	intermediate filament protein	0.0055	0.1134	0.1607
Mycobacterium ulcerans	aldehyde dehydrogenase	0.012	0.3226	1
Brugia malayi	RNA binding protein	0.0132	0.3603	0.5107
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0051	0.101	0.1432
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.1766	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0039	0.0634	0.0634
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0893	0.0893
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.014	1
Echinococcus multilocularis	geminin	0.0331	1	1
Onchocerca volvulus		0.0048	0.0904	0.7978
Schistosoma mansoni	intermediate filament proteins	0.0055	0.1134	0.1134
Onchocerca volvulus		0.0055	0.1134	1
Schistosoma mansoni	hypothetical protein	0.0331	1	1
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0904	0.0904
Schistosoma mansoni	hypothetical protein	0.011	0.2912	0.2912
Mycobacterium leprae	conserved hypothetical protein	0.0039	0.0634	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0893	0.0893
Mycobacterium ulcerans	aldehyde dehydrogenase	0.012	0.3226	1
Leishmania major	cathepsin L-like protease	0.0075	0.1766	0.5473
Mycobacterium leprae	Probable lipase LipE	0.0039	0.0634	0.5
Brugia malayi	Ets-domain containing protein	0.0069	0.1578	0.2236
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0027	0.0222	0.0222
Loa Loa (eye worm)	beta-lactamase	0.0039	0.0634	0.0899
Trichomonas vaginalis	penicillin-binding protein, putative	0.0039	0.0634	1
Schistosoma mansoni	lamin	0.0055	0.1134	0.1134
Mycobacterium ulcerans	aldehyde dehydrogenase	0.012	0.3226	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.0939	0.1331
Leishmania major	hypothetical protein, conserved	0.0024	0.014	0.0432
Echinococcus granulosus	tumor protein p63	0.0326	0.9844	0.9844
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.014	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0904	0.1282
Entamoeba histolytica	hypothetical protein	0.0116	0.3083	1
Schistosoma mansoni	survival motor neuron protein	0.0049	0.0939	0.0939
Brugia malayi	Fli-1 protein	0.0209	0.607	0.8603
Echinococcus granulosus	lamin dm0	0.0055	0.1134	0.1134
Loa Loa (eye worm)	MH2 domain-containing protein	0.0113	0.3009	0.4265
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1766	1
Brugia malayi	hypothetical protein	0.0116	0.3083	0.437
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0893	0.0893
Trichomonas vaginalis	esterase, putative	0.0039	0.0634	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.012	0.3226	0.3226
Schistosoma mansoni	lamin	0.0055	0.1134	0.1134
Schistosoma mansoni	hypothetical protein	0.0051	0.101	0.101
Trypanosoma cruzi	cysteine peptidase, putative	0.0075	0.1766	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1766	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0161	0.4551	0.6451
Loa Loa (eye worm)	hypothetical protein	0.024	0.7055	1
Leishmania major	cathepsin L-like protease	0.0075	0.1766	0.5473
Loa Loa (eye worm)	D-ets-4 DNA binding domain-containing protein	0.0069	0.1578	0.2236
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0634	1
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.3603	0.3603
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0634	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0039	0.0634	0.0634
Onchocerca volvulus		0.0049	0.0939	0.8281
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0068	0.1558	0.8824
Echinococcus granulosus	GA binding protein alpha chain	0.0069	0.1578	0.1578
Echinococcus granulosus	GPCR family 2	0.0051	0.101	0.101
Loa Loa (eye worm)	transcription factor SMAD2	0.0113	0.3009	0.4265
Brugia malayi	hypothetical protein	0.024	0.7055	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0039	0.0634	0.3592
Onchocerca volvulus		0.0055	0.1134	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.012	0.3226	0.3226
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0132	0.3603	0.5107
Loa Loa (eye worm)	hypothetical protein	0.0026	0.019	0.0269
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1766	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0893	0.0893
Loa Loa (eye worm)	RNA binding protein	0.0132	0.3603	0.5107
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1766	1
Schistosoma mansoni	hypothetical protein	0.0051	0.101	0.101
Brugia malayi	TAR-binding protein	0.0132	0.3603	0.5107
Trypanosoma cruzi	major cysteine proteinase, putative	0.0059	0.1253	0.7098
Onchocerca volvulus		0.0039	0.0634	0.5595
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.014	0.079
Loa Loa (eye worm)	hypothetical protein	0.011	0.2912	0.4128
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.014	0.22
Brugia malayi	Ets-domain containing protein	0.0069	0.1578	0.2236
Loa Loa (eye worm)	TAR-binding protein	0.0132	0.3603	0.5107
Echinococcus multilocularis	GPCR, family 2	0.0051	0.101	0.101
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0161	0.4551	0.6451
Schistosoma mansoni	hypothetical protein	0.0049	0.0939	0.0939
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0029	0.0316	0.0447
Schistosoma mansoni	aldehyde dehydrogenase	0.012	0.3226	0.3226
Brugia malayi	beta-lactamase family protein	0.0039	0.0634	0.0899
Plasmodium vivax	hypothetical protein, conserved	0.0039	0.0634	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0051	0.101	0.101
Brugia malayi	Intermediate filament tail domain containing protein	0.0055	0.1134	0.1607
Leishmania major	hypothetical protein, conserved	0.0039	0.0634	0.1966
Schistosoma mansoni	hypothetical protein	0.0051	0.101	0.101
Entamoeba histolytica	hypothetical protein	0.0116	0.3083	1
Echinococcus multilocularis	lamin dm0	0.0055	0.1134	0.1134
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0027	0.0222	0.0222
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.012	0.3226	0.3809
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0893	0.0893
Schistosoma mansoni	transcription factor LCR-F1	0.0116	0.3083	0.3083
Trypanosoma brucei	hypothetical protein, conserved	0.0039	0.0634	0.3042
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0251	0.7439	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0634	0.0899
Echinococcus granulosus	intermediate filament protein	0.0055	0.1134	0.1134
Onchocerca volvulus		0.0039	0.0634	0.5595
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0051	0.101	0.101
Brugia malayi	MH2 domain containing protein	0.0113	0.3009	0.4265
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0039	0.0634	0.0899
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0161	0.4551	0.6451
Echinococcus multilocularis	musashi	0.0055	0.1134	0.1134
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.3603	0.3603
Brugia malayi	Latrophilin receptor protein 2	0.0051	0.101	0.1432
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0893	0.0893
Loa Loa (eye worm)	hypothetical protein	0.0059	0.1258	0.1783
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1766	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0039	0.0634	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0893	0.1266
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0055	0.1134	0.1607
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0116	0.3083	0.3083
Schistosoma mansoni	hypothetical protein	0.0116	0.3083	0.3083
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0039	0.0634	0.0634
Loa Loa (eye worm)	hypothetical protein	0.0024	0.014	0.0198
Brugia malayi	latrophilin 2 splice variant baaae	0.011	0.2912	0.4128
Loa Loa (eye worm)	hypothetical protein	0.0054	0.1101	0.1561
Trypanosoma cruzi	cruzipain precursor, putative	0.0075	0.1766	1
Schistosoma mansoni	hypothetical protein	0.0051	0.101	0.101
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.3603	0.3603
Brugia malayi	beta-lactamase family protein	0.0039	0.0634	0.0899
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1766	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1766	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.101	0.1432
Toxoplasma gondii	ABC1 family protein	0.0039	0.0634	0.1966
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0222	0.0315
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.012	0.3226	1
Loa Loa (eye worm)	fli-1 protein	0.0209	0.607	0.8603
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0634	0.0899
Brugia malayi	cytoplasmic intermediate filament protein	0.0029	0.0316	0.0447
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1766	1
Entamoeba histolytica	hypothetical protein	0.0116	0.3083	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0116	0.3083	0.3083
Echinococcus multilocularis	survival motor neuron protein 1	0.024	0.7055	0.7055
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0634	0.0899
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0634	0.0899
Echinococcus multilocularis	tumor protein p63	0.0326	0.9844	0.9844
Echinococcus multilocularis	GA binding protein alpha chain	0.0069	0.1578	0.1578
Schistosoma mansoni	gabp alpha	0.0069	0.1578	0.1578
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0634	0.0899
Leishmania major	cathepsin L-like protease	0.0075	0.1766	0.5473
Toxoplasma gondii	aldehyde dehydrogenase	0.012	0.3226	1
Brugia malayi	hypothetical protein	0.0024	0.014	0.0198
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.3603	0.3603
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0893	0.0893
Schistosoma mansoni	aldehyde dehydrogenase	0.012	0.3226	0.3226
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0075	0.1766	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 702588