TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 356.417 | Formula: C23H20N2O2
H donors: 0 H acceptors: 2 LogP: 4.6 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1cc(nc2c1cccc2)c1cc2c(o1)cccc2)N1CCCCC1
InChi: 1S/C23H20N2O2/c26-23(25-12-6-1-7-13-25)18-15-20(24-19-10-4-3-9-17(18)19)22-14-16-8-2-5-11-21(16)27-22/h2-5,8-11,14-15H,1,6-7,12-13H2
InChiKey: FBTQJSFFMLMXJF-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
Trichomonas vaginalis	taga, putative	0.0025	0.502	0.4255
Trypanosoma cruzi	trans-sialidase, putative	0.0029	0.6511	0.6511
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0039	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0029	0.6511	0.6511
Echinococcus granulosus	multidrug resistance protein 1	0.0025	0.502	0.502
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0029	0.6511	0.6511
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0029	0.6511	0.6511
Leishmania major	p-glycoprotein	0.0025	0.502	0.1939
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0039	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0025	0.502	0.4255
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0029	0.6511	0.6511
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0039	1	1
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0025	0.502	0.1939
Trichomonas vaginalis	ABC transporter, putative	0.0025	0.502	0.4255
Entamoeba histolytica	P-glycoprotein-1	0.0025	0.502	0.1939
Loa Loa (eye worm)	hypothetical protein	0.0022	0.3689	0.3604
Trypanosoma cruzi	trans-sialidase, putative	0.0029	0.6511	0.6511
Echinococcus granulosus	multidrug resistance protein 1	0.0015	0.1331	0.1331
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0025	0.4887	0.4887
Trypanosoma brucei	trans-sialidase, putative	0.0029	0.6511	0.4352
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0029	0.6511	0.6511
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0025	0.502	0.4255
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0025	0.502	0.502
Brugia malayi	multidrug resistance protein 3	0.0025	0.502	0.1939
Echinococcus granulosus	multidrug resistance protein 1	0.0025	0.502	0.502
Trypanosoma brucei	trans-sialidase, putative	0.0029	0.6511	0.4352
Schistosoma mansoni	multidrug resistance protein	0.0025	0.502	0.1939
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0025	0.502	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0025	0.502	0.4255
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0025	0.502	0.4255
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0039	1	1
Entamoeba histolytica	P-glycoprotein 5, putative	0.0025	0.502	0.1939
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0025	0.502	0.5
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0025	0.502	0.1939
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0025	0.502	0.4255
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0039	1	1
Trypanosoma brucei	trans-sialidase, putative	0.0029	0.6511	0.4352
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0022	0.3822	0.3822
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0029	0.6511	0.6511
Loa Loa (eye worm)	hypothetical protein	0.0025	0.502	0.4953
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0025	0.502	0.4255
Trypanosoma brucei	trans-sialidase, putative	0.0029	0.6511	0.4352
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0025	0.502	0.4255
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0039	1	1
Trichomonas vaginalis	ABC transporter, putative	0.0025	0.502	0.4255
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0025	0.502	0.502
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0039	1	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0025	0.502	0.502
Giardia lamblia	Multidrug resistance-associated protein 1	0.0022	0.3822	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0025	0.502	0.502
Trichomonas vaginalis	abcb9, putative	0.0025	0.502	0.4255
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0039	1	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0025	0.502	0.502
Loa Loa (eye worm)	hypothetical protein	0.0025	0.502	0.4953
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0025	0.502	0.502
Trypanosoma brucei	trans-sialidase	0.0029	0.6511	0.4352
Trypanosoma cruzi	trans-sialidase, putative	0.0029	0.6509	0.6509
Onchocerca volvulus		0.0025	0.502	0.5
Trypanosoma brucei	trans-sialidase, putative	0.0029	0.6511	0.4352
Loa Loa (eye worm)	multidrug resistance protein 3	0.0025	0.502	0.4953
Schistosoma mansoni	multidrug resistance protein	0.0025	0.502	0.1939
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0022	0.3822	0.3739
Entamoeba histolytica	P-glycoprotein-5	0.0025	0.502	0.1939
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0025	0.502	0.4255
Trichomonas vaginalis	ABC transporter, putative	0.0025	0.502	0.4255
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0025	0.502	0.502
Giardia lamblia	ABC transporter, putative	0.0022	0.3822	1
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0039	1	1
Trypanosoma cruzi	trans-sialidase, putative	0.0029	0.6509	0.6509
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0025	0.502	0.1939
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0039	1	1
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0029	0.6511	0.6511
Entamoeba histolytica	P-glycoprotein-2	0.0025	0.502	0.1939
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0025	0.502	0.4255
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0025	0.502	0.4255
Echinococcus multilocularis	ATP binding cassette sub family B	0.0025	0.4887	0.4887
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0039	1	1
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0022	0.3822	0.3822
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0025	0.502	0.502
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0022	0.3822	0.3822
Schistosoma mansoni	multidrug resistance protein	0.0025	0.502	0.1939
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0025	0.502	0.4255
Entamoeba histolytica	P-glyco protein 6, putative	0.0025	0.502	0.1939
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0039	1	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0015	0.1331	0.1331
Loa Loa (eye worm)	hypothetical protein	0.0022	0.3822	0.3739
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0025	0.502	0.4255
Trypanosoma cruzi	trans-sialidase, putative	0.0029	0.6509	0.6509
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0029	0.6511	0.6511
Loa Loa (eye worm)	hypothetical protein	0.0022	0.3822	0.3739
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0025	0.502	0.4255
Entamoeba histolytica	P-glycoprotein-2	0.0025	0.502	0.1939
Echinococcus granulosus	multidrug resistance associated protein 7	0.0022	0.3822	0.3822
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0025	0.502	0.4255
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0025	0.502	0.4953
Giardia lamblia	MRP-like ABC transporter	0.0022	0.3822	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0022	0.3822	0.3822
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0025	0.502	0.502
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0025	0.502	0.502
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0029	0.6511	0.6511
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0025	0.502	0.4255
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0039	1	1
Echinococcus granulosus	multidrug resistance protein 1	0.0025	0.502	0.502
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0025	0.502	0.4255
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0025	0.502	0.4255
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0039	1	1
Brugia malayi	ABC transporter family protein	0.0025	0.502	0.1939
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0025	0.502	0.4255
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0039	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0022	0.3822	1
Trypanosoma cruzi	trans-sialidase, putative	0.0029	0.6509	0.6509
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0025	0.502	0.502
Schistosoma mansoni	smdr2	0.0025	0.502	0.1939
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0025	0.502	0.4255
Trypanosoma cruzi	trans-sialidase, putative	0.0029	0.6511	0.6511
Trichomonas vaginalis	abcb9, putative	0.0025	0.502	0.4255
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0029	0.6511	0.6511
Trypanosoma cruzi	trans-sialidase, Group I, putative	0.0029	0.6511	0.6511
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0025	0.502	0.4255
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0022	0.3822	0.3822
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0039	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0025	0.502	0.4255
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0025	0.502	0.4255
Loa Loa (eye worm)	hypothetical protein	0.0025	0.4887	0.4818
Trichomonas vaginalis	abcb9, putative	0.0025	0.502	0.4255
Echinococcus granulosus	multidrug resistance protein 1	0.0015	0.1331	0.1331
Echinococcus granulosus	multidrug resistance associated protein 1	0.0022	0.3822	0.3822
Trichomonas vaginalis	ABC transporter, putative	0.0025	0.502	0.4255
Entamoeba histolytica	P-glycoprotein-2, putative	0.0025	0.502	0.1939

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: CHEMBL2281881

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 1806246