TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 347.28 | Formula: C16H24Cl2N2O2
H donors: 1 H acceptors: 2 LogP: 2.92 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: OCCN1CCN(CC1)C1CCc2c(C1=O)cccc2.Cl.Cl
InChi: 1S/C16H22N2O2.2ClH/c19-12-11-17-7-9-18(10-8-17)15-6-5-13-3-1-2-4-14(13)16(15)20;;/h1-4,15,19H,5-12H2;2*1H
InChiKey: RDYLPZJPSBOGOV-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
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0131	0.1947	0.1947
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0154	0.2347	1
Echinococcus multilocularis	Small ubiquitin modifier 2	0.003	0.0121	0.0622
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.0047	0.0425	0.2183
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0425	0.1501
Entamoeba histolytica	ubiquitin like protein	0.003	0.0121	0.0126
Echinococcus granulosus	Small ubiquitin modifier 2	0.003	0.0121	0.0121
Echinococcus granulosus	sumo-activating enzyme subunit 2	0.0031	0.0139	0.0139
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0056	0.0589	0.0611
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0181	0.2832	0.2938
Plasmodium falciparum	SUMO-activating enzyme subunit 2	0.0031	0.0139	0.0594
Plasmodium vivax	ubiquitin activating enzyme, putative	0.0047	0.0425	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0325	0.0674
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0181	0.2832	0.2938
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0181	0.2832	0.2938
Echinococcus multilocularis	SUMO activating enzyme subunit 2	0.0031	0.0139	0.0715
Plasmodium falciparum	SUMO-activating enzyme subunit 1	0.0047	0.0425	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0131	0.1947	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.2067	0.4284
Schistosoma mansoni	ubiquitin-like protein sumo/smt3-related	0.003	0.0121	0.0622
Trypanosoma cruzi	hypothetical protein, conserved	0.0056	0.0589	0.122
Leishmania major	mitochondrial DNA polymerase beta	0.0291	0.4825	1
Trypanosoma cruzi	ubiquitin-activating enzyme, putative	0.0031	0.0139	0.0288
Brugia malayi	Ubiquitin-like protein SMT3	0.003	0.0121	0.0428
Brugia malayi	Low molecular weight phosphotyrosine protein phosphatase containing protein	0.0181	0.2832	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0131	0.1947	0.6874
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0041	0.0325	0.0674
Trichomonas vaginalis	conserved hypothetical protein	0.003	0.0121	0.0126
Trypanosoma brucei	low molecular weight protein tyrosine phosphatase, putative	0.0056	0.0589	0.122
Giardia lamblia	Sentrin	0.003	0.0121	0.0428
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0131	0.1947	0.1947
Trypanosoma brucei	small ubiquitin-related modifier	0.003	0.0121	0.0251
Echinococcus granulosus	SUMO activating enzyme subunit 1	0.0047	0.0425	0.0425
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0181	0.2832	0.2938
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0291	0.4825	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0056	0.0589	0.0611
Plasmodium vivax	SUMO-activating enzyme subunit 2, putative	0.0031	0.0139	0.0594
Brugia malayi	ThiF family protein	0.0047	0.0425	0.1501
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0131	0.1947	1
Echinococcus multilocularis	SUMO activating enzyme subunit 1	0.0047	0.0425	0.2183
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0181	0.2832	0.2938
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0181	0.2832	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0131	0.1947	1
Trypanosoma cruzi	small ubiquitin protein, putative	0.003	0.0121	0.0251
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0138	0.2067	0.4284
Toxoplasma gondii	hypothetical protein	0.0047	0.0434	1
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0181	0.2832	1
Onchocerca volvulus		0.0181	0.2832	1
Schistosoma mansoni	ubiquitin-activating enzyme E1b	0.0031	0.0139	0.0715
Leishmania major	ubiquitin-activating enzyme-like protein	0.0031	0.0139	0.0288
Toxoplasma gondii	ThiF family protein	0.0031	0.0139	0.0577
Trypanosoma brucei	ubiquitin-activating enzyme E1, putative	0.0031	0.0139	0.0288
Brugia malayi	ThiF family protein	0.0031	0.0139	0.0491
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0181	0.2832	0.2938
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0181	0.2832	0.2938
Toxoplasma gondii	hypothetical protein	0.0047	0.0425	0.972
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0131	0.1947	0.6874
Leishmania major	hypothetical protein, conserved	0.0056	0.0589	0.122
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0291	0.4825	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.005	0.0486	0.1008
Trypanosoma cruzi	small ubiquitin protein, putative	0.003	0.0121	0.0251
Loa Loa (eye worm)	SMO-1 protein	0.003	0.0121	0.0428
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0041	0.0325	0.0674
Schistosoma mansoni	sumo-1-activating enzyme E1a	0.0042	0.0348	0.1788
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0291	0.4825	1
Entamoeba histolytica	dual specificity protein phosphatase, putative	0.056	0.9638	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0138	0.2067	0.4284
Loa Loa (eye worm)	ThiF family protein	0.0031	0.0139	0.0491
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0181	0.2832	0.2938
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0181	0.2832	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0056	0.0589	0.122
Leishmania major	small ubiquitin protein, putative	0.003	0.0121	0.0251
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0041	0.0325	0.0674
Trypanosoma cruzi	ubiquitin-activating enzyme, putative	0.0026	0.0062	0.0129
Trichomonas vaginalis	pps1 dual specificty phosphatase, putative	0.056	0.9638	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

ChEMBL: CHEMBL3216887

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 1864817