TDR Targets

Basic information

Technical information

TDR Targets ID: 610602
Name: 2-[1-(3-chlorophenyl)pyrazolo[4,5-e]pyrimidin -4-yl]sulfanyl-N-(4-nitrophenyl)acetamide
MW: 440.863 | Formula: C19H13ClN6O3S
H donors: 1 H acceptors: 6 LogP: 4.05 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)[N+](=O)[O-])CSc1ncnc2c1cnn2c1cccc(c1)Cl
InChi: 1S/C19H13ClN6O3S/c20-12-2-1-3-15(8-12)25-18-16(9-23-25)19(22-11-21-18)30-10-17(27)24-13-4-6-14(7-5-13)26(28)29/h1-9,11H,10H2,(H,24,27)
InChiKey: AHRYGTFCAZIXHF-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-[[1-(3-chlorophenyl)-4-pyrazolo[4,5-e]pyrimidinyl]thio]-N-(4-nitrophenyl)acetamide
2-[[1-(3-chlorophenyl)pyrazolo[4,5-e]pyrimidin-4-yl]thio]-N-(4-nitrophenyl)acetamide
2-[1-(3-chlorophenyl)pyrazolo[4,5-e]pyrimidin-4-yl]sulfanyl-N-(4-nitrophenyl)ethanamide

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	jumonji/arid domain-containing protein	0.0036	0.0101	0.0272
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0088	0.0797	0.8405
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.009	0.0821	0.2676
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0113	0.2023
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0101	0.0272
Schistosoma mansoni	hypothetical protein	0.0034	0.0085	0.0218
Trichomonas vaginalis	esterase, putative	0.0036	0.0113	0.2023
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0098	0.0927	0.3149
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0039	0.0151	0.7695
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0113	0.031
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0113	0.031
Echinococcus granulosus	thioredoxin glutathione reductase	0.0039	0.015	0.0435
Plasmodium falciparum	thioredoxin reductase	0.0039	0.0143	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0113	0.031
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0113	0.2023
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0088	0.0797	0.2647
Giardia lamblia	PHD finger protein 15	0.0029	0.002	0.5
Echinococcus granulosus	chromobox protein 1	0.007	0.0557	0.1795
Mycobacterium tuberculosis	Probable reductase	0.0088	0.0797	0.2647
Brugia malayi	beta-lactamase family protein	0.0036	0.0113	0.031
Brugia malayi	beta-lactamase family protein	0.0036	0.0113	0.031
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0113	0.5
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0113	0.031
Brugia malayi	RNA binding protein	0.0257	0.3014	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0113	0.031
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0085	0.0218
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.0295	0.0917
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0088	0.0797	0.2647
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.0295	0.0917
Mycobacterium tuberculosis	Probable oxidoreductase	0.0098	0.0927	0.3149
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0101	0.0082
Brugia malayi	chromobox protein homolog 3	0.0039	0.0151	0.0439
Schistosoma mansoni	chromobox protein	0.007	0.0557	0.1795
Plasmodium vivax	glutathione reductase, putative	0.0039	0.0143	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0113	0.5
Plasmodium falciparum	glutathione reductase	0.0039	0.0143	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0101	0.0272
Loa Loa (eye worm)	thioredoxin reductase	0.0039	0.0143	0.0412
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0821	0.2676
Trichomonas vaginalis	chromobox protein, putative	0.007	0.0557	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0113	0.031
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0101	0.0272
Toxoplasma gondii	ABC1 family protein	0.0036	0.0113	0.7526
Onchocerca volvulus		0.0036	0.0113	0.5439
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0088	0.0797	0.2647
Trichomonas vaginalis	chromobox protein, putative	0.007	0.0557	1
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.3014	1
Echinococcus granulosus	tar DNA binding protein	0.0257	0.3014	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0821	0.0803
Onchocerca volvulus		0.0031	0.0039	0.1137
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.3014	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0113	0.031
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0113	0.0093
Echinococcus multilocularis	chromobox protein 1	0.007	0.0557	0.0539
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0113	0.031
Leishmania major	trypanothione reductase	0.0039	0.0143	1
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0171	0.0506
Trypanosoma cruzi	trypanothione reductase, putative	0.0039	0.0143	1
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0113	0.7526
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0039	0.0065
Brugia malayi	TAR-binding protein	0.0257	0.3014	1
Echinococcus multilocularis	chromobox protein 1	0.007	0.0557	0.0539
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.009	0.0821	0.2676
Loa Loa (eye worm)	RNA binding protein	0.0257	0.3014	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0088	0.0797	0.2647
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0098	0.0927	0.3149
Brugia malayi	jmjC domain containing protein	0.0096	0.09	0.2939
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0039	0.0143	0.0118
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0821	0.2676
Brugia malayi	Thioredoxin reductase	0.0039	0.0143	0.0412
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0171	0.0152
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0151	0.2714
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.0432	0.1376
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0042	0.0191	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0085	0.0218
Echinococcus granulosus	chromobox protein 1	0.007	0.0557	0.1795
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0113	0.031
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.009	0.0821	0.2676
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0113	0.2023
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.064	0.207
Mycobacterium ulcerans	lipase LipD	0.0036	0.0113	0.5
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0113	0.5
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0096	0.09	0.0882
Brugia malayi	MH2 domain containing protein	0.0122	0.1243	0.4086
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0257	0.3014	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0296	0.0923
Brugia malayi	beta-lactamase	0.0036	0.0113	0.031
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0113	0.2023
Plasmodium vivax	thioredoxin reductase, putative	0.0039	0.0143	1
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0191	0.3419
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0088	0.0797	0.2647
Echinococcus multilocularis	tar DNA binding protein	0.0257	0.3014	0.3
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.3014	1
Trichomonas vaginalis	conserved hypothetical protein	0.0039	0.0151	0.2714
Brugia malayi	glutathione reductase	0.0039	0.0143	0.0412
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0039	0.015	0.013
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0821	0.2676
Loa Loa (eye worm)	hypothetical protein	0.005	0.0295	0.0917
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0096	0.09	0.2939
Brugia malayi	RNA recognition motif domain containing protein	0.0257	0.3014	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.009	0.0821	0.0803
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.3014	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0151	0.0439
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0113	0.031
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0098	0.0927	1
Loa Loa (eye worm)	TAR-binding protein	0.0257	0.3014	1
Trichomonas vaginalis	chromobox protein, putative	0.0042	0.0191	0.3419
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0233	0.2697	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.0295	0.0917
Schistosoma mansoni	chromobox protein	0.007	0.0557	0.1795
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0113	0.5
Onchocerca volvulus		0.0036	0.0113	0.5439
Schistosoma mansoni	tar DNA-binding protein	0.0257	0.3014	1
Loa Loa (eye worm)	heterochromatin protein 1	0.007	0.0557	0.1795
Toxoplasma gondii	thioredoxin reductase	0.0039	0.0143	1
Loa Loa (eye worm)	glutathione reductase	0.0039	0.0143	0.0412
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0113	0.031
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0113	0.2023
Brugia malayi	jmjC domain containing protein	0.0036	0.0101	0.0272
Brugia malayi	Heterochromatin protein 1	0.007	0.0557	0.1795
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0113	0.031
Loa Loa (eye worm)	transcription factor SMAD2	0.0122	0.1243	0.4086
Loa Loa (eye worm)	MH2 domain-containing protein	0.0122	0.1243	0.4086
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.009	0.0821	0.2676
Trypanosoma brucei	trypanothione reductase	0.0039	0.0143	1
Onchocerca volvulus		0.0036	0.0113	0.5439

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 610602