TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 410.464 | Formula: C26H22N2O3
H donors: 0 H acceptors: 3 LogP: 4.76 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ncc(o1)c1ccccn1)C1CCc2c(C1)ccc(c2)OCc1ccccc1
InChi: 1S/C26H22N2O3/c29-25(26-28-16-24(31-26)23-8-4-5-13-27-23)21-10-9-20-15-22(12-11-19(20)14-21)30-17-18-6-2-1-3-7-18/h1-8,11-13,15-16,21H,9-10,14,17H2
InChiKey: PSMKDAOLSHXOGN-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
Loa Loa (eye worm)	cyclin domain-containing protein	0.0015	0.0006	0.0036
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0083	0.5037
Entamoeba histolytica	hypothetical protein	0.0034	0.0157	0.237
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0395	1
Brugia malayi	CHE-14 protein	0.0041	0.0213	0.1252
Schistosoma mansoni	hypothetical protein	0.0164	0.1189	0.2285
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0015	0.001	0.0008
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0083	0.1953
Trypanosoma cruzi	cyclin, putative	0.0035	0.017	0.4195
Schistosoma mansoni	hypothetical protein	0.004	0.0202	0.0378
Schistosoma mansoni	hypothetical protein	0.0035	0.0165	0.0307
Echinococcus multilocularis	sterol regulatory element binding protein	0.0041	0.0213	0.0339
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0157	0.7301
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0015	0.0007	0.0001
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0083	0.1953
Echinococcus multilocularis	protein dispatched 1	0.0047	0.0259	0.0414
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0096	0.0644	1
Trichomonas vaginalis	cyclins, putative	0.0035	0.017	0.7899
Echinococcus multilocularis	protein patched	0.0041	0.0213	0.0339
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0035	0.017	0.0997
Schistosoma mansoni	fatty-acid amide hydrolase	0.0123	0.0862	0.1654
Schistosoma mansoni	hypothetical protein	0.0164	0.1189	0.2285
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.001	0.0007
Echinococcus granulosus	sterol regulatory element binding protein	0.0041	0.0213	0.04
Chlamydia trachomatis	phosphoshikimate 1-carboxyl vinyltransferase	0.0361	0.274	0.2735
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0035	0.017	0.4195
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.001	0.0098
Echinococcus multilocularis	microtubule associated protein 2	0.067	0.5181	0.8481
Echinococcus multilocularis	isocitrate dehydrogenase	0.0015	0.001	0.0007
Echinococcus granulosus	Niemann Pick C1 protein	0.0096	0.0644	0.1233
Trypanosoma cruzi	transcription factor btf3, putative	0.0034	0.0157	0.3877
Entamoeba histolytica	hypothetical protein	0.0035	0.0165	0.2491
Brugia malayi	hypothetical protein	0.0229	0.1703	1
Echinococcus multilocularis	expressed conserved protein	0.009	0.0598	0.0971
Entamoeba histolytica	hypothetical protein	0.0035	0.0165	0.2491
Echinococcus multilocularis	lamin	0.0026	0.0096	0.0147
Schistosoma mansoni	hypothetical protein	0.004	0.0202	0.0378
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0015	0.0007	0.0029
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0862	0.5064
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0395	1
Loa Loa (eye worm)	amidase	0.0015	0.0007	0.0039
Leishmania major	hypothetical protein, conserved	0.0024	0.0083	0.1953
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0015	0.001	0.0061
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0083	0.0485
Trichomonas vaginalis	cyclin B, putative	0.0035	0.017	0.7899
Schistosoma mansoni	amidase	0.0123	0.0862	0.1654
Mycobacterium leprae	PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA	0.0919	0.715	1
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0015	0.001	0.0007
Trypanosoma brucei	mitotic cyclin 6	0.0035	0.017	0.4195
Trypanosoma cruzi	cyclin, putative	0.0035	0.017	0.4195
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0157	0.7301
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0787	0.6108	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0064	0.0395	0.0752
Trichomonas vaginalis	cyclin B, putative	0.0035	0.017	0.7899
Loa Loa (eye worm)	ICD-1 protein	0.0034	0.0157	0.0924
Echinococcus multilocularis	musashi	0.0026	0.0096	0.0147
Trypanosoma cruzi	transcription factor btf3, putative	0.0034	0.0157	0.3877
Brugia malayi	putative amidase	0.0015	0.0007	0.0039
Brugia malayi	hypothetical protein	0.0024	0.0083	0.0485
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0064	0.0395	0.2323
Echinococcus multilocularis	cyclin B	0.0035	0.017	0.0268
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0165	0.0261
Onchocerca volvulus	Huntingtin homolog	0.0119	0.0829	1
Mycobacterium ulcerans	3-phosphoshikimate 1-carboxyvinyltransferase	0.0361	0.274	0.2735
Mycobacterium tuberculosis	Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase)	0.0185	0.1352	0.1884
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0165	0.0307
Echinococcus multilocularis	geminin	0.0164	0.1189	0.1938
Brugia malayi	beta-NAC-like protein	0.0034	0.0157	0.0924
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0064	0.0395	1
Brugia malayi	intermediate filament protein	0.0026	0.0096	0.0564
Echinococcus granulosus	lamin dm0	0.0026	0.0096	0.0174
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0064	0.0395	0.6101
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0015	0.001	0.0098
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.0862	0.1403
Echinococcus multilocularis	muscleblind protein	0.0145	0.1035	0.1686
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0092	0.0542
Brugia malayi	MH2 domain containing protein	0.0116	0.0805	0.4726
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0015	0.0007	0.0001
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0035	0.017	0.0997
Echinococcus multilocularis	survival motor neuron protein 1	0.0229	0.1703	0.278
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0096	0.0174
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0035	0.017	0.4195
Echinococcus granulosus	muscleblind protein	0.0145	0.1035	0.1988
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.001	0.0007
Mycobacterium tuberculosis	Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA	0.0919	0.715	1
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0064	0.0395	1
Giardia lamblia	G2/mitotic-specific cyclin B	0.0035	0.017	1
Trypanosoma cruzi	cyclin 6, putative	0.0035	0.017	0.4195
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0015	0.001	0.0007
Trichomonas vaginalis	cyclin B, putative	0.0035	0.017	0.7899
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0015	0.0007	0.0001
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0053	0.031
Brugia malayi	Muscleblind-like protein	0.0145	0.1035	0.6077
Trichomonas vaginalis	conserved hypothetical protein	0.0034	0.0157	0.7301
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0096	0.0564
Loa Loa (eye worm)	hypothetical protein	0.0035	0.017	0.0997
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0083	0.0264
Brugia malayi	Isocitrate dehydrogenase	0.0015	0.001	0.0061
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0083	0.5051
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0015	0.001	0.0252
Loa Loa (eye worm)	amidase	0.0015	0.0007	0.0039
Mycobacterium leprae	probable 3-phosphoshikimate 1-carboxyvinyl transferase AroA (5-ENOLPYRUVYLSHIKIMATE-3-PHOSPHATE SYNTHASE) (EPSP SYNTHASE) (EPSPS	0.0361	0.274	0.3826
Schistosoma mansoni	patched 1	0.0041	0.0213	0.04
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0213	0.1252
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0083	0.1953
Echinococcus granulosus	microtubule associated protein 2	0.067	0.5181	1
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1035	0.6077
Echinococcus multilocularis	transcription factor btf3	0.0034	0.0157	0.0248
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0213	1
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.001	0.0098
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0123	0.0862	0.1403
Echinococcus granulosus	Protein patched homolog 1	0.0041	0.0213	0.04
Schistosoma mansoni	fatty-acid amide hydrolase	0.0015	0.0007	0.0001
Brugia malayi	hypothetical protein	0.0119	0.0829	0.4867
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0064	0.0395	0.0638
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0259	0.1522
Echinococcus granulosus	lamin	0.0026	0.0096	0.0174
Brugia malayi	amidase	0.0123	0.0862	0.5064
Echinococcus granulosus	intermediate filament protein	0.0026	0.0096	0.0174
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0015	0.0006	0.0036
Echinococcus granulosus	survival motor neuron protein 1	0.0229	0.1703	0.3278
Onchocerca volvulus		0.0035	0.017	0.1006
Leishmania major	basic transcription factor 3a, putative	0.0034	0.0157	0.3877
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0015	0.0007	0.0001
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0097	0.0656	0.1256
Onchocerca volvulus		0.0047	0.0259	0.2226
Brugia malayi	hypothetical protein	0.0016	0.0014	0.0082
Echinococcus multilocularis	Niemann Pick C1 protein	0.0096	0.0644	0.1046
Plasmodium vivax	basic transcription factor 3b, putative	0.0034	0.0157	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0137	0.0968	0.1859
Entamoeba histolytica	cyclin, putative	0.0035	0.017	0.2564
Trichomonas vaginalis	cyclins, putative	0.0024	0.0081	0.3615
Schistosoma mansoni	hypothetical protein	0.004	0.0202	0.0378
Schistosoma mansoni	hypothetical protein	0.0047	0.0259	0.0489
Loa Loa (eye worm)	hypothetical protein	0.0035	0.017	0.0997
Echinococcus granulosus	transcription factor btf3	0.0034	0.0157	0.0292
Loa Loa (eye worm)	hypothetical protein	0.0096	0.0644	0.3784
Echinococcus multilocularis	transcription factor Dp 1	0.0037	0.0182	0.0289
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0829	0.4867
Plasmodium falciparum	basic transcription factor 3b, putative	0.0034	0.0157	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.0286	0.168
Brugia malayi	isocitrate dehydrogenase	0.0015	0.001	0.0061
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0064	0.0395	0.2323
Trichomonas vaginalis	cyclin A, putative	0.0035	0.017	0.7899
Loa Loa (eye worm)	hypothetical protein	0.0145	0.1035	0.6077
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0015	0.001	0.0008
Trichomonas vaginalis	cyclins, putative	0.0035	0.017	0.7899
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0096	0.0564
Schistosoma mansoni	lamin	0.0026	0.0096	0.0174
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0165	0.0307
Brugia malayi	Niemann-Pick C1 protein precursor	0.0096	0.0644	0.3784
Loa Loa (eye worm)	hypothetical protein	0.0229	0.1703	1
Echinococcus multilocularis	lamin dm0	0.0026	0.0096	0.0147
Schistosoma mansoni	microtubule-associated protein tau	0.067	0.5181	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0165	0.2491
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0083	0.5051
Schistosoma mansoni	cyclin B	0.0035	0.017	0.0316
Entamoeba histolytica	transcription factor BTF3, putative	0.0034	0.0157	0.237
Brugia malayi	hypothetical protein	0.0035	0.0165	0.097
Loa Loa (eye worm)	transcription factor SMAD2	0.0116	0.0805	0.4726
Trichomonas vaginalis	cyclins, putative	0.0035	0.017	0.7899
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0096	0.0564
Trichomonas vaginalis	cyclin B, putative	0.0035	0.017	0.7899
Schistosoma mansoni	transcription factor btf3	0.0034	0.0157	0.0292
Onchocerca volvulus	Huntingtin homolog	0.0119	0.0829	1
Brugia malayi	Amidase family protein	0.0015	0.0007	0.0039
Loa Loa (eye worm)	MH2 domain-containing protein	0.0116	0.0805	0.4726
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0015	0.0007	0.0001
Mycobacterium tuberculosis	Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP)	0.0015	0.001	0.0005
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0064	0.0395	0.0752
Schistosoma mansoni	hypothetical protein	0.004	0.0202	0.0378
Echinococcus granulosus	transcription factor Dp 1	0.0037	0.0182	0.034
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0015	0.001	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0096	0.0564
Trichomonas vaginalis	cyclins, putative	0.0035	0.017	0.7899
Echinococcus granulosus	geminin	0.0164	0.1189	0.2285
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0015	0.001	0.0098
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.0862	0.1654
Schistosoma mansoni	lamin	0.0026	0.0096	0.0174
Echinococcus granulosus	cyclin B	0.0035	0.017	0.0316
Mycobacterium ulcerans	epoxide hydrolase EphA	0.0185	0.1352	0.1347
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0015	0.001	0.028
Echinococcus granulosus	expressed conserved protein	0.009	0.0598	0.1145
Toxoplasma gondii	shikimate dehydrogenase substrate binding domain-containing protein	0.0361	0.274	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0165	0.2491
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0829	0.4867
Trypanosoma brucei	transcription factor BTF3, putative	0.0034	0.0157	0.3877
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0041	0.0213	0.1252
Brugia malayi	Amidase family protein	0.0015	0.0007	0.0039
Toxoplasma gondii	NAC domain-containing protein	0.0034	0.0157	0.0538
Echinococcus multilocularis	Niemann Pick C1 protein	0.0137	0.0968	0.1577
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0123	0.0862	0.1654
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0259	0.0489
Leishmania major	cyclin	0.0035	0.017	0.4195
Echinococcus multilocularis	muscleblind protein 1	0.0145	0.1035	0.1686

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: CHEMBL1765995

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 1513605