TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 345.782 | Formula: C13H20ClN5O4
H donors: 1 H acceptors: 5 LogP: 3.68 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(CN(c1nc(Cl)ncc1[N+](=O)[O-])NC(=O)OC(C)(C)C)C
InChi: 1S/C13H20ClN5O4/c1-8(2)7-18(17-12(20)23-13(3,4)5)10-9(19(21)22)6-15-11(14)16-10/h6,8H,7H2,1-5H3,(H,17,20)
InChiKey: RPUMFZQRFRMCBA-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0011	0.0154	0.0154
Toxoplasma gondii	aldehyde dehydrogenase	0.0071	0.1901	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0022	0.0464	0.1834
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0024	0.0521	0.2743
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0154	0.0154
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0022	0.0464	0.2442
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.0464	0.6005
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0011	0.0154	0.0154
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0011	0.0154	0.0608
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0022	0.0464	0.7832
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0154	0.0608
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1332	0.1332
Echinococcus granulosus	FTZ F1 alpha	0.0011	0.0154	0.0154
Entamoeba histolytica	hypothetical protein	0.0026	0.0593	1
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0464	0.7832
Schistosoma mansoni	thyroid hormone receptor	0.0154	0.4317	0.4317
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.1901	1
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0022	0.0464	0.0464
Schistosoma mansoni	hypothetical protein	0.0198	0.5629	0.5629
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0011	0.0154	0.0154
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0521	0.4443
Brugia malayi	photoreceptor-specific nuclear receptor	0.0011	0.0154	0.0608
Schistosoma mansoni	hypothetical protein	0.0142	0.3983	0.3983
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0011	0.0154	0.0154
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0011	0.0154	0.0154
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0593	0.3118
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0.0464	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0154	0.0154
Giardia lamblia	GTP-binding nuclear protein RAN/TC4	0.0024	0.0521	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0033	0.0773	0.4067
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0154	0.0154
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1332	0.1332
Onchocerca volvulus	Bile acid receptor homolog	0.0011	0.0154	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.0011	0.0154	0.0154
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0348	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0154	0.0154
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0154	0.0154
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0024	0.0521	0.6744
Echinococcus multilocularis	snurportin 1	0.0348	1	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0011	0.0154	0.0154
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0011	0.0154	0.0154
Plasmodium falciparum	importin beta, putative	0.0033	0.0773	1
Brugia malayi	nuclear receptor NHR-88	0.0011	0.0154	0.0608
Schistosoma mansoni	thyroid hormone receptor	0.0154	0.4317	0.4317
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.1901	1
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0011	0.0154	0.0154
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0011	0.0154	0.0154
Trichomonas vaginalis	ran, putative	0.0024	0.0521	0.8795
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0011	0.0154	0.0154
Brugia malayi	Nuclear hormone receptor-like 1	0.0011	0.0154	0.0608
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0521	0.206
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0011	0.0154	0.0154
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0071	0.1901	0.1901
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0011	0.0154	0.0154
Schistosoma mansoni	ran	0.0024	0.0521	0.0521
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0773	1
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0011	0.0154	0.0608
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0142	0.3983	0.3983
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0052	0.1332	0.5263
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0052	0.1332	0.1332
Brugia malayi	ecdysteroid receptor	0.0011	0.0154	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0154	0.0154
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0024	0.0521	0.6744
Schistosoma mansoni	hypothetical protein	0.0348	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0154	0.0608
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0154	0.0608
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0071	0.1901	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0071	0.1901	0.1901
Loa Loa (eye worm)	steroid hormone receptor	0.0011	0.0154	0.0154
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0011	0.0154	0.0154
Brugia malayi	steroid hormone receptor	0.0011	0.0154	0.0608
Onchocerca volvulus	Protein ultraspiracle homolog	0.0011	0.0154	0.5
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.0464	0.6005
Schistosoma mansoni	ap endonuclease	0.0022	0.0464	0.0464
Echinococcus multilocularis	geminin	0.0198	0.5629	0.5629
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0154	0.4317	0.4317
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0022	0.0464	0.0464
Plasmodium vivax	importin-beta 2, putative	0.0033	0.0773	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0011	0.0154	0.0154
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.1901	0.1901
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0052	0.1332	0.1332
Schistosoma mansoni	ap endonuclease	0.0022	0.0464	0.0464
Schistosoma mansoni	coup transcription factor	0.0011	0.0154	0.0154
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0142	0.3983	0.3983
Schistosoma mansoni	importin beta-1	0.0033	0.0773	0.0773
Onchocerca volvulus		0.0011	0.0154	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0011	0.0154	0.0154
Schistosoma mansoni	ran	0.0024	0.0521	0.0521
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0521	0.0521
Brugia malayi	Steroid receptor seven-up type 2	0.0011	0.0154	0.0608
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0593	1
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0593	1
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.0464	0.7832
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0011	0.0154	0.0154
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0593	1
Brugia malayi	Importin beta-1 subunit	0.0033	0.0773	0.3055
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0154	0.0154
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0011	0.0154	0.0154
Toxoplasma gondii	exonuclease III APE	0.0022	0.0464	0.2442
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0022	0.0464	0.0464
Schistosoma mansoni	retinoic acid receptor RXR	0.0011	0.0154	0.0154
Echinococcus multilocularis	ecdysone induced protein 78C	0.0011	0.0154	0.0154
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.1332	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0154	0.0154
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0071	0.1901	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0011	0.0154	0.0154
Entamoeba histolytica	Ran family GTPase	0.0024	0.0521	0.8795
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0011	0.0154	0.5
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0521	0.0521
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0011	0.0154	0.0608
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0024	0.0521	0.4443
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0011	0.0154	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0154	0.0154
Brugia malayi	RNA, U transporter 1	0.0093	0.2531	1
Echinococcus granulosus	geminin	0.0198	0.5629	0.5629
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0011	0.0154	0.0154
Brugia malayi	nuclear hormone receptor	0.0011	0.0154	0.0608
Trypanosoma brucei	importin beta-1 subunit, putative	0.0033	0.0773	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0011	0.0154	0.0608
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0011	0.0154	0.0154
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0011	0.0154	0.0608
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0011	0.0154	0.0608
Schistosoma mansoni	nuclear hormone receptor	0.0011	0.0154	0.0154
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0593	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0011	0.0154	0.0154
Echinococcus multilocularis	importin subunit beta 1	0.0033	0.0773	0.0773
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0011	0.0154	0.0608
Echinococcus multilocularis	FTZ F1 alpha	0.0011	0.0154	0.0154
Schistosoma mansoni	aldehyde dehydrogenase	0.0071	0.1901	0.1901
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0022	0.0464	0.6005
Leishmania major	GTP-binding protein, putative	0.0024	0.0521	0.2743
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0154	0.0154
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0011	0.0154	0.0154
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0011	0.0154	0.0608
Echinococcus granulosus	importin subunit beta 1	0.0033	0.0773	0.0773
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0011	0.0154	0.0154
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0071	0.1901	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0052	0.1332	0.1332
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0.0464	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0011	0.0154	0.0154
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.1332	0.1332
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0773	0.0773
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0011	0.0154	0.0608
Schistosoma mansoni	hypothetical protein	0.0198	0.5629	0.5629
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0011	0.0154	0.0154
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0024	0.0521	0.6744
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0052	0.1332	0.1332
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0011	0.0154	0.0154
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0521	0.0521

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: CHEMBL1215201

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 1138092