TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 288.345 | Formula: C15H20N4O2
H donors: 0 H acceptors: 1 LogP: 2.44 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)N1CCN(CC1)/C=C/N=N/c1ccccc1
InChi: 1S/C15H20N4O2/c1-2-21-15(20)19-12-10-18(11-13-19)9-8-16-17-14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3/b9-8+,17-16+
InChiKey: LWBQSVGWRPUYKA-AXBLMGCGSA-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
Loa Loa (eye worm)	hypothetical protein	0.0251	0.1619	0.1619
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0251	0.1619	0.1584
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.0042	0.0259
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.0042	0.0042
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.0042	0.0042
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0251	0.1619	0.5
Onchocerca volvulus		0.0019	0.0042	0.0259
Loa Loa (eye worm)	cysteine protease	0.0019	0.0042	0.0042
Onchocerca volvulus		0.0019	0.0042	0.0259
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0042	0.0042
Loa Loa (eye worm)	carboxylesterase	0.1483	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Schistosoma mansoni	BC026374 protein (S09 family)	0.0251	0.1619	0.1619
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0042	0.0042
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0398	0.5
Loa Loa (eye worm)	hypothetical protein	0.0251	0.1619	0.1619
Mycobacterium ulcerans	carboxylesterase, LipT	0.0251	0.1619	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0042	0.0259
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0398	0.5
Loa Loa (eye worm)	hypothetical protein	0.1483	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0042	0.0259
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0251	0.1619	0.1584
Onchocerca volvulus		0.0019	0.0042	0.0259
Brugia malayi	Carboxylesterase family protein	0.0251	0.1619	0.1619
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Echinococcus granulosus	BC026374 protein S09 family	0.0251	0.1619	0.1619
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0042	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0251	0.1619	0.1619
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0251	0.1619	0.1619
Onchocerca volvulus		0.0019	0.0042	0.0259
Entamoeba histolytica	hypothetical protein	0.004	0.0187	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0187	0.0187
Brugia malayi	hypothetical protein	0.0251	0.1619	0.1619
Onchocerca volvulus		0.0251	0.1619	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.0398	1
Onchocerca volvulus		0.0251	0.1619	1
Onchocerca volvulus		0.0019	0.0042	0.0259
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.0042	0.0259
Echinococcus multilocularis	carboxylesterase 5A	0.1483	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0251	0.1619	0.1619
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.0398	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0398	0.5
Loa Loa (eye worm)	hypothetical protein	0.0251	0.1619	0.1619
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0398	0.5
Loa Loa (eye worm)	carboxylesterase	0.0251	0.1619	0.1619
Leishmania major	cathepsin L-like protease	0.0071	0.0398	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0251	0.1619	0.1619
Echinococcus granulosus	acetylcholinesterase	0.1483	1	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0056	0.0295	0.7098
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0065	0.0356	0.8824
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1483	1	1
Echinococcus multilocularis	microtubule associated protein 2	0.0768	0.5138	0.5117
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0251	0.1619	0.5
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0019	0.0042	0.0042
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0042	0.0259
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.0042	0.0259
Loa Loa (eye worm)	carboxylesterase	0.0251	0.1619	0.1619
Onchocerca volvulus	Cathepsin F homolog	0.0019	0.0042	0.0259
Brugia malayi	Carboxylesterase family protein	0.0251	0.1619	0.1619
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0398	0.5
Onchocerca volvulus		0.0251	0.1619	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Entamoeba histolytica	hypothetical protein	0.004	0.0187	1
Onchocerca volvulus		0.0251	0.1619	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0019	0.0042	0.0042
Loa Loa (eye worm)	ctsf protein	0.0019	0.0042	0.0042
Entamoeba histolytica	hypothetical protein	0.004	0.0187	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0071	0.0398	1
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.0042	0.0259
Schistosoma mansoni	acetylcholinesterase	0.0251	0.1619	0.1619
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0042	0.0259
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0398	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0042	0.0259
Loa Loa (eye worm)	hypothetical protein	0.0251	0.1619	0.1619
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0042	0.0042
Brugia malayi	Carboxylesterase family protein	0.1483	1	1
Echinococcus granulosus	microtubule associated protein 2	0.0768	0.5138	0.5138
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0251	0.1619	0.1619
Plasmodium vivax	vivapain-2	0.0019	0.0042	0.5
Toxoplasma gondii	cathepsin CPL	0.0019	0.0042	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0398	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0042	0.2235
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Echinococcus granulosus	cathepsin l1	0.0019	0.0042	0.0042
Brugia malayi	Carboxylesterase family protein	0.0251	0.1619	0.1619
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Loa Loa (eye worm)	acetylcholinesterase 1	0.1483	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0042	0.0259
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0042	0.0042
Echinococcus multilocularis	acetylcholinesterase	0.1483	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0019	0.0042	0.5
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0019	0.0042	0.0042
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0251	0.1619	0.1619
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0019	0.0042	0.5
Loa Loa (eye worm)	fibroinase	0.0019	0.0042	0.0042
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0042	0.0042
Echinococcus granulosus	acetylcholinesterase	0.1483	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0398	0.5
Loa Loa (eye worm)	hypothetical protein	0.0251	0.1619	0.1619
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0042	0.0259
Plasmodium vivax	vivapain-2	0.0019	0.0042	0.5
Onchocerca volvulus		0.0019	0.0042	0.0259
Echinococcus granulosus	carboxylesterase 5A	0.1483	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0251	0.1619	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0251	0.1619	1
Echinococcus granulosus	neuroligin	0.0251	0.1619	0.1619
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0398	0.5
Echinococcus multilocularis	acetylcholinesterase	0.1483	1	1
Leishmania major	cathepsin L-like protease	0.0071	0.0398	1
Echinococcus multilocularis	para nitrobenzyl esterase	0.0251	0.1619	0.1584
Trichomonas vaginalis	spcc417.12 protein, putative	0.0251	0.1619	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.0042	0.0042
Leishmania major	cathepsin L-like protease	0.0071	0.0398	1
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.0042	0.0042
Brugia malayi	Carboxylesterase family protein	0.0251	0.1619	0.1619
Trypanosoma cruzi	cysteine peptidase, putative	0.0071	0.0398	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.0042	0.0259
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0187	0.0187
Onchocerca volvulus		0.0019	0.0042	0.0259
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0019	0.0042	0.0042
Entamoeba histolytica	hypothetical protein	0.004	0.0187	1
Schistosoma mansoni	gliotactin	0.0251	0.1619	0.1619
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0398	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0187	0.0146
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.0042	0.2235
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0019	0.0042	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0251	0.1619	0.1619
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0071	0.0398	0.5
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0251	0.1619	0.1619
Schistosoma mansoni	hypothetical protein	0.004	0.0187	0.0187
Entamoeba histolytica	cysteine protease, putative	0.0019	0.0042	0.2235
Echinococcus multilocularis	neuroligin	0.0251	0.1619	0.1584
Brugia malayi	hypothetical protein	0.004	0.0187	0.0187
Schistosoma mansoni	microtubule-associated protein tau	0.0768	0.5138	0.5138
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.0042	0.0259
Onchocerca volvulus		0.0251	0.1619	1
Loa Loa (eye worm)	hypothetical protein	0.1483	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0042	0.0042

Activities

Activity type	Activity value	Assay description	Source	Reference
CC50 (ADMET)	= 17 uM	Cytotoxicity against mock-infected human MT4 cells assessed as reduction in cell viability after 96 hrs by MTT assay	ChEMBL.	18760610

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: CHEMBL446919

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 949544