TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 362.549 | Formula: C22H38N2O2
H donors: 1 H acceptors: 1 LogP: 5.91 Rotable bonds: 16
Rule of 5 violations (Lipinski): 1
SMILES: CCCCNc1ccc(cc1)C(=O)OCCCN(CCCC)CCCC
InChi: 1S/C22H38N2O2/c1-4-7-15-23-21-13-11-20(12-14-21)22(25)26-19-10-18-24(16-8-5-2)17-9-6-3/h11-14,23H,4-10,15-19H2,1-3H3
InChiKey: NAZCWJXOZUYLLU-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

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
Chlamydia trachomatis	glucose-6-phosphate 1-dehydrogenase	0.0094	0.278	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0067	0.1536	0.5292
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0095	0.2835	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0067	0.1536	0.5292
Trypanosoma cruzi	cruzipain precursor, putative	0.0254	1	1
Trypanosoma brucei	polo-like protein kinase	0.0095	0.2835	0.2781
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0067	0.1536	0.5292
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0095	0.2835	1
Onchocerca volvulus		0.0067	0.1536	0.4338
Toxoplasma gondii	cathepsin CPL	0.0067	0.1536	0.1251
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0067	0.1536	0.5292
Echinococcus multilocularis	cathepsin L cysteine protease	0.0067	0.1536	0.5292
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0067	0.1536	0.4736
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0254	1	1
Trypanosoma brucei	glucose-6-phosphate 1-dehydrogenase	0.0094	0.278	0.2725
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0254	1	1
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0095	0.2835	1
Plasmodium vivax	vivapain-2	0.0067	0.1536	0.4736
Loa Loa (eye worm)	cysteine protease	0.0067	0.1536	0.4338
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0095	0.2835	0.1535
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0658	0.189
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Loa Loa (eye worm)	glucose-6-phosphate dehydrogenase	0.0094	0.278	0.9759
Echinococcus multilocularis	cysteine protease	0.0067	0.1536	0.5292
Brugia malayi	Cathepsin L-like precursor	0.0067	0.1536	0.5292
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0067	0.1536	0.5292
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.1536	0.1472
Brugia malayi	Cathepsin L-like precursor	0.0067	0.1536	0.5292
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.1536	0.4736
Onchocerca volvulus		0.0067	0.1536	0.4338
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.1536	0.4736
Mycobacterium tuberculosis	Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD)	0.0033	0	0.5
Brugia malayi	Cathepsin L-like precursor	0.0067	0.1536	0.5292
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0254	1	1
Schistosoma mansoni	glucose-6-phosphate 1-dehydrogenase	0.0094	0.278	0.98
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0067	0.1536	0.4338
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0067	0.1536	0.4338
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0254	1	1
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0102	0.3159	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0254	1	1
Echinococcus multilocularis	glucose 6 phosphate 1 dehydrogenase	0.0094	0.278	0.98
Plasmodium vivax	vivapain-2	0.0067	0.1536	0.4736
Leishmania major	glucose-6-phosphate 1-dehydrogenase, putative	0.0094	0.278	0.147
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0254	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.1536	0.4736
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0254	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0045	0.054	0.1684
Brugia malayi	Cathepsin L-like precursor	0.0067	0.1536	0.5292
Plasmodium vivax	glucose-6-phosphate 1-dehydrogenase, putative	0.0102	0.3159	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Echinococcus multilocularis	cathepsin L cysteine protease	0.0067	0.1536	0.5292
Onchocerca volvulus		0.0067	0.1536	0.4338
Trypanosoma cruzi	cysteine peptidase, putative	0.0254	1	1
Onchocerca volvulus		0.0067	0.1536	0.4338
Trypanosoma cruzi	polo-like protein kinase, putative	0.0095	0.2835	0.2781
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.1536	0.4736
Trichomonas vaginalis	6-phosphogluconolactonase, putative	0.0102	0.3159	1
Giardia lamblia	Glucose-6-phosphate 1-dehydrogenase	0.0102	0.3159	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.1536	0.4736
Echinococcus granulosus	glucose 6 phosphate 1 dehydrogenase	0.0094	0.278	0.98
Mycobacterium ulcerans	glucose-6-phosphate 1-dehydrogenase	0.0094	0.278	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Entamoeba histolytica	cysteine protease, putative	0.0067	0.1536	0.5292
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.1536	0.4736
Onchocerca volvulus		0.0067	0.1536	0.4338
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0067	0.1536	0.4736
Brugia malayi	Cathepsin L-like precursor	0.0045	0.054	0.1684
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0045	0.054	0.1684
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.054	0.1507
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.2835	0.895
Brugia malayi	Papain family cysteine protease containing protein	0.0067	0.1536	0.5292
Onchocerca volvulus	Cathepsin L homolog	0.0067	0.1536	0.4338
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.1536	0.4736
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0095	0.2835	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0067	0.1536	0.4736
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Echinococcus granulosus	cathepsin l1	0.0045	0.054	0.1684
Treponema pallidum	glucose-6-phosphate 1-dehydrogenase	0.0094	0.278	0.5
Brugia malayi	Cathepsin L-like precursor	0.0067	0.1536	0.5292
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.2835	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0199	0.7544	0.7525
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.1536	0.4736
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Leishmania major	cathepsin L-like protease	0.0254	1	1
Trichomonas vaginalis	glucosamine-6-phosphate isomerase, putative	0.0102	0.3159	1
Brugia malayi	cathepsin L-like precursor	0.0045	0.054	0.1684
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.2835	0.895
Trypanosoma cruzi	polo-like protein kinase, putative	0.0095	0.2835	0.2781
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0067	0.1536	0.4736
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0067	0.1536	0.5292
Schistosoma mansoni	cathepsin F (C01 family)	0.0067	0.1536	0.5292
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0095	0.2835	1
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.2835	0.895
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0254	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0067	0.1536	0.4736
Onchocerca volvulus	Cathepsin F homolog	0.0067	0.1536	0.4338
Toxoplasma gondii	glucose-6-phosphate 1-dehydrogenase	0.0102	0.3159	1
Plasmodium falciparum	glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase	0.0102	0.3159	1
Brugia malayi	glucose-6-phosphate dehydrogenase	0.0094	0.278	0.98
Trypanosoma cruzi	glucose-6-phosphate 1-dehydrogenase, putative	0.0094	0.278	0.2725
Trypanosoma cruzi	cysteine peptidase, putative	0.0254	1	1
Echinococcus multilocularis	cysteine protease	0.0067	0.1536	0.5292
Onchocerca volvulus	Cathepsin L homolog	0.0067	0.1536	0.4338
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0254	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0254	1	1
Brugia malayi	serine/threonine-protein kinase plk-2	0.0095	0.2835	1
Onchocerca volvulus		0.0067	0.1536	0.4338
Brugia malayi	Cathepsin L-like precursor	0.0045	0.054	0.1684
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0254	1	1
Onchocerca volvulus		0.0067	0.1536	0.4338
Brugia malayi	Cathepsin L-like precursor	0.0067	0.1536	0.5292
Echinococcus granulosus	cathepsin l1	0.0067	0.1536	0.5292
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Loa Loa (eye worm)	hypothetical protein	0.0067	0.1536	0.4338
Entamoeba histolytica	cysteine proteinase, putative	0.0067	0.1536	0.5292
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.2835	0.895
Leishmania major	cathepsin L-like protease	0.0254	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0232	0.9004	0.8997
Schistosoma mansoni	kinase	0.0048	0.0715	0.2318
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.2835	0.895
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.2835	0.895
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0254	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0045	0.054	0.1684
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0045	0.054	0.1507
Trichomonas vaginalis	CAMK family protein kinase	0.0095	0.2835	0.895
Loa Loa (eye worm)	fibroinase	0.0067	0.1536	0.4338
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0067	0.1536	0.4736
Loa Loa (eye worm)	ctsf protein	0.0067	0.1536	0.4338
Trichomonas vaginalis	CAMK family protein kinase	0.0047	0.0658	0.189
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0067	0.1536	0.4736

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: CHEMBL612031

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 1104227