TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 322.358 | Formula: C19H18N2O3
H donors: 1 H acceptors: 1 LogP: 3.54 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cccc2c1oc(=Nc1ccc(cc1)C)c(c2)C(=O)N
InChi: 1S/C19H18N2O3/c1-3-23-16-6-4-5-13-11-15(18(20)22)19(24-17(13)16)21-14-9-7-12(2)8-10-14/h4-11H,3H2,1-2H3,(H2,20,22)/b21-19-
InChiKey: PDUKJPJMBVPKDP-VZCXRCSSSA-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	0.0109	0.758	0.7472
Echinococcus granulosus	multidrug resistance protein 1	0.004	0.147	0.1232
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0028	0.0429	0.0017
Trichomonas vaginalis	ABC transporter, putative	0.004	0.147	0.1403
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.1409	0.1414
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.004	0.147	0.1403
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.004	0.147	0.1403
Echinococcus multilocularis	multidrug resistance protein 1	0.004	0.147	0.1232
Toxoplasma gondii	hypothetical protein	0.0137	1	1
Entamoeba histolytica	P-glycoprotein-1	0.004	0.147	1
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0028	0.0429	0.0017
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0028	0.0429	0.0017
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0028	0.0429	0.0017
Schistosoma mansoni	voltage-gated potassium channel	0.0137	0.997	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.004	0.147	0.1403
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0028	0.0429	0.0017
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.004	0.147	0.1403
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.2003	0.1852
Schistosoma mansoni	multidrug resistance protein	0.004	0.147	0.1475
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.004	0.147	0.1403
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.2003	0.1852
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.004	0.147	0.1403
Entamoeba histolytica	P-glycoprotein-2	0.004	0.147	1
Brugia malayi	multidrug resistance protein 3	0.004	0.147	0.1217
Loa Loa (eye worm)	hypothetical protein	0.004	0.147	0.1088
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.004	0.147	0.1403
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.004	0.147	0.1403
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0028	0.0429	0.0017
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.2003	0.1644
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0028	0.0429	0.043
Onchocerca volvulus		0.004	0.147	0.5
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.1142	0.0849
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.2003	0.1838
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0113	0.7942	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.004	0.147	0.1232
Echinococcus granulosus	multidrug resistance protein 1	0.004	0.147	0.1232
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.004	0.147	0.1403
Schistosoma mansoni	smdr2	0.004	0.147	0.1475
Plasmodium falciparum	multidrug resistance protein 1	0.004	0.147	0.5
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.004	0.147	0.1403
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0039	0.1409	0.1145
Echinococcus granulosus	hyperpolarization activated cyclic	0.0028	0.0429	0.0017
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0028	0.0429	0.0017
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.004	0.147	0.1403
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0028	0.0429	0.043
Trichomonas vaginalis	ABC transporter, putative	0.004	0.147	0.1403
Schistosoma mansoni	voltage-gated potassium channel	0.0028	0.0429	0.043
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0113	0.7942	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1409	0.1024
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.004	0.147	0.5
Trichomonas vaginalis	abcb9, putative	0.004	0.147	0.1403
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0039	0.1432	0.1187
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.004	0.147	0.1403
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.004	0.147	0.1403
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0028	0.0429	0.043
Schistosoma mansoni	multidrug resistance protein	0.004	0.147	0.1475
Echinococcus granulosus	multidrug resistance protein 1	0.004	0.147	0.1232
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0028	0.0429	0.002
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.004	0.147	0.1403
Loa Loa (eye worm)	hypothetical protein	0.0039	0.1432	0.1048
Echinococcus granulosus	hyperpolarization activated cyclic	0.0028	0.0429	0.0017
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2003	0.2009
Echinococcus multilocularis	ATP binding cassette sub family B	0.0039	0.1432	0.1187
Echinococcus multilocularis	sodium channel protein	0.0069	0.4014	0.4198
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0069	0.4014	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0125	0.899	1
Echinococcus granulosus	voltage gated potassium channel	0.0039	0.1409	0.1161
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.004	0.147	0.1232
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0028	0.0429	0.002
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0028	0.0429	0.0017
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.004	0.147	0.1403
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.1142	0.0849
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0069	0.4014	0.4198
Loa Loa (eye worm)	hypothetical protein	0.0137	1	1
Trichomonas vaginalis	abcb9, putative	0.004	0.147	0.1403
Loa Loa (eye worm)	inward rectifying k channel family protein 1	0.0137	1	1
Loa Loa (eye worm)	multidrug resistance protein 3	0.004	0.147	0.1088
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0125	0.899	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0028	0.0429	0.0017
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.004	0.147	0.1232
Entamoeba histolytica	P-glycoprotein-2	0.004	0.147	1
Trichomonas vaginalis	ABC transporter, putative	0.004	0.147	0.1403
Brugia malayi	ABC transporter family protein	0.004	0.147	0.1217
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.004	0.147	0.1403
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.1142	0.1146
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.004	0.147	0.1403
Schistosoma mansoni	multidrug resistance protein	0.004	0.147	0.1475
Trichomonas vaginalis	ABC transporter, putative	0.004	0.147	0.1403
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.2003	0.1852
Entamoeba histolytica	P-glycoprotein 5, putative	0.004	0.147	1
Schistosoma mansoni	voltage-gated potassium channel	0.0137	0.997	1
Entamoeba histolytica	P-glycoprotein-5	0.004	0.147	1
Loa Loa (eye worm)	hypothetical protein	0.0137	1	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.004	0.147	0.1403
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.004	0.147	0.1232
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.004	0.147	0.1232
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.004	0.147	0.1403
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.004	0.147	0.5
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0039	0.1409	0.1161
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.004	0.147	0.1403
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0125	0.899	0.8945
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.004	0.147	0.1403
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.2003	0.1852
Schistosoma mansoni	hypothetical protein	0.0036	0.1142	0.1146
Entamoeba histolytica	P-glyco protein 6, putative	0.004	0.147	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.004	0.147	0.1403
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2003	0.2009
Entamoeba histolytica	P-glycoprotein-2, putative	0.004	0.147	1
Plasmodium vivax	multidrug resistance protein 1, putative	0.004	0.147	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.147	0.1088
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.004	0.147	0.1232
Brugia malayi	hypothetical protein	0.0036	0.1142	0.0833
Trichomonas vaginalis	taga, putative	0.004	0.147	0.1403
Trichomonas vaginalis	abcb9, putative	0.004	0.147	0.1403
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0028	0.0429	0.043
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.004	0.147	0.1232
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.004	0.147	0.1232
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0028	0.0429	0.043
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.004	0.147	0.1088
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0125	0.899	1
Echinococcus multilocularis	voltage gated potassium channel	0.0039	0.1409	0.1161
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.2003	0.2009
Schistosoma mansoni	voltage-gated potassium channel	0.0039	0.1409	0.1414
Echinococcus granulosus	sodium channel protein	0.0069	0.4014	0.4198
Echinococcus multilocularis	multidrug resistance protein 1	0.004	0.147	0.1232
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.004	0.147	0.1232
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0039	0.1409	0.1161

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 658819