TDR Targets

Basic information

Technical information

TDR Targets ID: 1541665
Name: N-(3-chlorophenyl)-2-(2-nitropyridin-3-yl)oxy propanamide
MW: 321.716 | Formula: C14H12ClN3O4
H donors: 1 H acceptors: 4 LogP: 2.92 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1cccc(c1)NC(=O)C(Oc1cccnc1[N+](=O)[O-])C
InChi: 1S/C14H12ClN3O4/c1-9(14(19)17-11-5-2-4-10(15)8-11)22-12-6-3-7-16-13(12)18(20)21/h2-9H,1H3,(H,17,19)
InChiKey: DTZSAHGJJCNDQK-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

N-(3-chlorophenyl)-2-[(2-nitro-3-pyridyl)oxy]propanamide
N-(3-chlorophenyl)-2-[(2-nitro-3-pyridyl)oxy]propionamide
N-(3-chlorophenyl)-2-(2-nitropyridin-3-yl)oxy-propanamide
T0518-1904

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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
Trichomonas vaginalis	esterase, putative	0.0042	0.0839	0.3759
Mycobacterium ulcerans	pyruvate kinase	0.0076	0.2233	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0839	0.1674
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0839	0.0839
Echinococcus granulosus	pyruvate kinase	0.0076	0.2233	0.3128
Toxoplasma gondii	pyruvate kinase PyKII	0.0039	0.0727	0.3257
Onchocerca volvulus	Pyruvate kinase homolog	0.0076	0.2233	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0839	0.1176
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0021	0	0.5
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0076	0.2233	1
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0839	0.3759
Plasmodium vivax	pyruvate kinase 2, putative	0.0039	0.0727	0.3257
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0839	0.3759
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0839	0.0839
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0839	0.1176
Onchocerca volvulus	Pyruvate kinase homolog	0.0076	0.2233	1
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.5014	0.7023
Loa Loa (eye worm)	RNA binding protein	0.0145	0.5014	1
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0839	0.3759
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0839	0.0839
Trypanosoma brucei	pyruvate kinase 1, putative	0.0076	0.2233	1
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.5014	0.7023
Trichomonas vaginalis	pyruvate kinase, putative	0.0076	0.2233	1
Echinococcus granulosus	geminin	0.0197	0.714	1
Schistosoma mansoni	pyruvate kinase	0.0076	0.2233	0.3128
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0839	0.1176
Echinococcus multilocularis	pyruvate kinase	0.006	0.1581	0.2215
Plasmodium falciparum	pyruvate kinase	0.0076	0.2233	1
Brugia malayi	TAR-binding protein	0.0145	0.5014	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0839	0.3759
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1297	0.2587
Loa Loa (eye worm)	TAR-binding protein	0.0145	0.5014	1
Schistosoma mansoni	pyruvate kinase	0.0076	0.2233	0.3128
Echinococcus granulosus	pyruvate kinase	0.0039	0.0727	0.1019
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0839	0.1176
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0076	0.2233	0.4454
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.5014	0.7023
Echinococcus granulosus	pyruvate kinase	0.0076	0.2233	0.3128
Echinococcus multilocularis	pyruvate kinase	0.0076	0.2233	0.3128
Brugia malayi	beta-lactamase family protein	0.0042	0.0839	0.1674
Entamoeba histolytica	pyruvate kinase, putative	0.0053	0.1297	1
Giardia lamblia	Pyruvate kinase	0.0039	0.0727	0.3257
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0839	0.1674
Chlamydia trachomatis	pyruvate kinase	0.0076	0.2233	0.5
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0076	0.2233	1
Brugia malayi	RNA binding protein	0.0145	0.5014	1
Echinococcus granulosus	pyruvate kinase	0.0039	0.0727	0.1019
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0839	0.0839
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0839	0.3759
Schistosoma mansoni	hypothetical protein	0.0197	0.714	1
Trichomonas vaginalis	pyruvate kinase, putative	0.0076	0.2233	1
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0839	0.0839
Leishmania major	pyruvate kinase	0.0076	0.2233	1
Toxoplasma gondii	ABC1 family protein	0.0042	0.0839	0.3759
Echinococcus multilocularis	pyruvate kinase	0.0039	0.0727	0.1019
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0839	0.1674
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0145	0.5014	1
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0839	0.1674
Loa Loa (eye worm)	pyruvate kinase-PB	0.0053	0.1297	0.2587
Leishmania major	hypothetical protein, conserved	0.0042	0.0839	0.3759
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0839	0.0839
Schistosoma mansoni	pyruvate kinase	0.0039	0.0727	0.1019
Brugia malayi	beta-lactamase	0.0042	0.0839	0.1674
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0839	0.3759
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0839	0.1674
Echinococcus granulosus	tar DNA binding protein	0.0145	0.5014	0.7023
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0076	0.2233	0.4454
Echinococcus granulosus	pyruvate kinase	0.0039	0.0727	0.1019
Mycobacterium ulcerans	lipase LipD	0.0042	0.0839	0.3759
Toxoplasma gondii	pyruvate kinase PyK1	0.0076	0.2233	1
Loa Loa (eye worm)	pyruvate kinase	0.0076	0.2233	0.4454
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0839	0.3759
Leishmania major	pyruvate kinase	0.0076	0.2233	1
Echinococcus multilocularis	geminin	0.0197	0.714	1
Brugia malayi	Pyruvate kinase, alpha/beta domain containing protein	0.0023	0.0076	0.0151
Schistosoma mansoni	hypothetical protein	0.0197	0.714	1
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.5014	0.7023
Loa Loa (eye worm)	pyruvate kinase	0.0076	0.2233	0.4454
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0839	0.0839
Loa Loa (eye worm)	hypothetical protein	0.0076	0.2233	0.4454
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0076	0.2233	0.2233
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0839	0.0839
Echinococcus multilocularis	tar DNA binding protein	0.0145	0.5014	0.7023
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0839	0.3759
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0839	0.3759
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0076	0.2233	1
Echinococcus multilocularis	pyruvate kinase	0.0076	0.2233	0.3128
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0021	0	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0839	0.3759
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0839	0.0839
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0839	0.1674
Plasmodium vivax	pyruvate kinase, putative	0.0076	0.2233	1
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0839	0.0839
Brugia malayi	RNA recognition motif domain containing protein	0.0145	0.5014	1
Giardia lamblia	Pyruvate kinase	0.0076	0.2233	1
Brugia malayi	beta-lactamase family protein	0.0042	0.0839	0.1674
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0839	0.3759
Echinococcus multilocularis	pyruvate kinase	0.0039	0.0727	0.1019
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0839	0.1674
Plasmodium falciparum	pyruvate kinase 2	0.0039	0.0727	0.3257
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0839	0.3759
Trypanosoma brucei	pyruvate kinase 1	0.0076	0.2233	1
Loa Loa (eye worm)	pyruvate kinase	0.0076	0.2233	0.4454
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0839	0.1674
Schistosoma mansoni	tar DNA-binding protein	0.0145	0.5014	0.7023
Echinococcus multilocularis	pyruvate kinase	0.0039	0.0727	0.1019
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0839	0.1674
Onchocerca volvulus	Pyruvate kinase homolog	0.0076	0.2233	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0839	0.3759

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	3.6537 uM	PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.7865 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Giardia lamblia

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: CHEMBL1899667

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 1541665