TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 264.32 | Formula: C14H20N2O3
H donors: 0 H acceptors: 0 LogP: 3.11 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCO/N=C(\c1ccc(cc1)OC)/C/C=N/OCC
InChi: 1S/C14H20N2O3/c1-4-18-15-11-10-14(16-19-5-2)12-6-8-13(17-3)9-7-12/h6-9,11H,4-5,10H2,1-3H3/b15-11+,16-14-
InChiKey: HBKSMOKUDUFZPE-RBYPTUOBSA-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
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0039	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0014	0.2064	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0018	0.3178	0.2258
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.2064	0.2064
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6973	0.6593
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0018	0.3253	0.3253
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.2064	0.2064
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0018	0.3253	0.1497
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0014	0.2064	0.2064
Trichomonas vaginalis	abcb9, putative	0.0014	0.2064	0.2064
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0018	0.3253	0.1497
Giardia lamblia	MRP-like ABC transporter	0.0018	0.3253	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0014	0.2064	0.2064
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.2064	0.2064
Trypanosoma brucei	trans-sialidase, putative	0.003	0.6974	0.5515
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0014	0.2064	0.2064
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.2064	0.2064
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0018	0.3253	0.2407
Loa Loa (eye worm)	hypothetical protein	0.0018	0.3253	0.2343
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0018	0.3253	0.2407
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0018	0.3253	0.1497
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.2064	0.2064
Echinococcus granulosus	multidrug resistance associated protein 4	0.0011	0.1114	0.1114
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6974	0.6595
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0039	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0018	0.3253	0.1497
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0018	0.3253	0.1497
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6973	0.6593
Schistosoma mansoni	multidrug resistance protein	0.0018	0.3253	0.1497
Leishmania major	ABC-thiol transporter	0.0018	0.3253	0.1497
Trypanosoma brucei	trans-sialidase	0.003	0.6974	0.5515
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6974	0.6595
Trichomonas vaginalis	ABC transporter, putative	0.0014	0.2064	0.2064
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0039	1	1
Echinococcus granulosus	multidrug resistance associated protein 1	0.0018	0.3253	0.3253
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0018	0.3253	0.1497
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0039	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6974	0.6595
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0018	0.3253	0.1497
Trichomonas vaginalis	abcb9, putative	0.0014	0.2064	0.2064
Trypanosoma brucei	trans-sialidase, putative	0.003	0.6974	0.5515
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.2064	0.2064
Schistosoma mansoni	multidrug resistance protein	0.0018	0.3253	0.1497
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6974	0.6595
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0018	0.3253	0.2343
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6974	0.6595
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.2064	0.2064
Echinococcus granulosus	multidrug resistance protein 1	0.0014	0.2064	0.2064
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0039	1	1
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0039	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0014	0.2064	0.2064
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6974	0.6595
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0014	0.2064	0.2064
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6973	0.6593
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0014	0.2064	0.5
Giardia lamblia	Multidrug resistance-associated protein 1	0.0018	0.3253	1
Loa Loa (eye worm)	multidrug resistance protein 3	0.0014	0.2064	0.0994
Trichomonas vaginalis	ABC transporter, putative	0.0014	0.2064	0.2064
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6974	0.6595
Entamoeba histolytica	ABC transporter, putative	0.0018	0.3253	0.1497
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.2064	0.2064
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.2064	0.2064
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0014	0.2064	0.2064
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0018	0.3253	0.1497
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0011	0.1114	0.1114
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0014	0.2064	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0014	0.2064	0.0994
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0039	1	1
Trypanosoma brucei	trans-sialidase, putative	0.003	0.6974	0.5515
Loa Loa (eye worm)	hypothetical protein	0.0014	0.2064	0.0994
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6974	0.6595
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0018	0.3253	0.1497
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.2064	0.2064
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0039	1	1
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0014	0.2064	0.2064
Loa Loa (eye worm)	hypothetical protein	0.0018	0.3253	0.2343
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0014	0.2064	0.2064
Entamoeba histolytica	multidrug resistance protein, putative	0.0018	0.3253	0.1497
Trichomonas vaginalis	ABC transporter, putative	0.0014	0.2064	0.2064
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0039	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.2064	0.2064
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0039	1	1
Schistosoma mansoni	multidrug resistance protein	0.0018	0.3253	0.1497
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6974	0.6595
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6974	0.6595
Echinococcus multilocularis	ATP binding cassette sub family B	0.0014	0.199	0.199
Echinococcus granulosus	multidrug resistance protein 1	0.0014	0.2064	0.2064
Leishmania major	pentamidine resistance protein 1	0.0018	0.3253	0.1497
Leishmania major	p-glycoprotein e	0.0018	0.3253	0.1497
Giardia lamblia	ABC transporter, putative	0.0018	0.3253	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.2064	0.2064
Echinococcus multilocularis	multidrug resistance protein 1	0.0014	0.2064	0.2064
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0014	0.2064	0.2064
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.2064	0.2064
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0014	0.2064	0.5
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0018	0.3253	0.2407
Schistosoma mansoni	multidrug resistance protein	0.0018	0.3253	0.1497
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6974	0.6595
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.2064	0.2064
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6974	0.6595
Loa Loa (eye worm)	hypothetical protein	0.0014	0.199	0.091
Brugia malayi	multidrug resistance related protein 1	0.0018	0.3253	0.1497
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0039	1	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.2064	0.2064
Trichomonas vaginalis	taga, putative	0.0014	0.2064	0.2064
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6974	0.6595
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.2064	0.2064
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0014	0.199	0.199
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0039	1	1
Entamoeba histolytica	hypothetical protein	0.0018	0.3253	0.1497
Trypanosoma cruzi	trans-sialidase, putative	0.003	0.6973	0.6593
Trypanosoma brucei	trans-sialidase, putative	0.003	0.6974	0.5515
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0018	0.3253	0.3253
Echinococcus granulosus	multidrug resistance associated protein 7	0.0018	0.3253	0.3253
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0014	0.2064	0.2064
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.003	0.6974	0.6595
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0014	0.2064	0.2064
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0039	1	1
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0039	1	1
Onchocerca volvulus		0.0014	0.2064	0.5
Trypanosoma brucei	trans-sialidase, putative	0.003	0.6974	0.5515
Brugia malayi	ABC transporter transmembrane region family protein	0.0018	0.3253	0.1497
Trichomonas vaginalis	abcb9, putative	0.0014	0.2064	0.2064
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.2064	0.2064
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0014	0.2064	0.2064
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0014	0.2064	0.2064
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0039	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0014	0.2064	0.2064
Giardia lamblia	Multidrug resistance-associated protein 1	0.0018	0.3253	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0014	0.2064	0.2064
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0014	0.2064	0.0994
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0039	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	> 64 ug ml-1	Antibacterial activity against Escherichia coli ATCC 25922 assessed as growth inhibition after 16 to 18 hr NCCLS agar dilution method	ChEMBL.	No reference

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: CHEMBL2297325

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 1793283