TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 450.573 | Formula: C26H34N4O3
H donors: 0 H acceptors: 3 LogP: 3 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1ccc(cc1)CN1CCCC(C1)CCC(=O)N1CCN(CC1)c1ccccn1
InChi: 1S/C26H34N4O3/c1-33-26(32)23-10-7-22(8-11-23)20-28-14-4-5-21(19-28)9-12-25(31)30-17-15-29(16-18-30)24-6-2-3-13-27-24/h2-3,6-8,10-11,13,21H,4-5,9,12,14-20H2,1H3
InChiKey: HYILJRRKZYGXLP-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
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0035	0.0092
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0118	0.0858	0.7766
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0378	0.3518	0.3513
Loa Loa (eye worm)	TAR-binding protein	0.0315	0.2873	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0118	0.0858	1
Schistosoma mansoni	tar DNA-binding protein	0.0315	0.2873	0.7506
Loa Loa (eye worm)	oxidoreductase	0.0035	0.0007	0.0025
Schistosoma mansoni	hypothetical protein	0.0142	0.1103	0.2882
Leishmania major	hypothetical protein, conserved	0.0037	0.0035	0.0328
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0037	0.0035	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0554	0.1927
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0035	0.0134
Schistosoma mansoni	acetyl-CoA synthetase	0.0035	0.0007	0.0019
Plasmodium falciparum	acyl-CoA synthetase	0.0088	0.0554	1
Brugia malayi	acetyl-Coenzyme A synthetase 2	0.0035	0.0007	0.0025
Brugia malayi	AMP-binding enzyme family protein	0.0035	0.0007	0.0025
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0035	1
Entamoeba histolytica	hypothetical protein	0.0142	0.1103	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0118	0.0858	1
Schistosoma mansoni	tar DNA-binding protein	0.0315	0.2873	0.7506
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0035	0.0122
Mycobacterium tuberculosis	Probable esterase LipL	0.0037	0.0035	0.0134
Brugia malayi	AMP-binding enzyme family protein	0.0118	0.0858	0.2988
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0083	0.0505	0.2386
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0408	0.3828	0.3823
Brugia malayi	AMP-binding enzyme family protein	0.0035	0.0007	0.0025
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0088	0.0554	0.2622
Entamoeba histolytica	hypothetical protein	0.0142	0.1103	1
Schistosoma mansoni	cellular tumor antigen P53	0.0148	0.1168	0.3051
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0142	0.1103	0.1097
Schistosoma mansoni	tar DNA-binding protein	0.0315	0.2873	0.7506
Toxoplasma gondii	ABC1 family protein	0.0037	0.0035	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.016	0.0558
Echinococcus multilocularis	tar DNA binding protein	0.0315	0.2873	0.2868
Mycobacterium ulcerans	acyl-CoA synthetase	0.0118	0.0858	1
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0858	0.2988
Mycobacterium ulcerans	esterase/lipase LipP	0.0037	0.0035	0.0328
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0378	0.3518	0.3513
Loa Loa (eye worm)	hypothetical protein	0.005	0.016	0.0558
Mycobacterium tuberculosis	Probable lipase LipD	0.0037	0.0035	0.0134
Mycobacterium tuberculosis	Probable lipase LipE	0.0037	0.0035	0.0134
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0035	1
Schistosoma mansoni	transcription factor LCR-F1	0.0142	0.1103	0.2882
Brugia malayi	hypothetical protein	0.0142	0.1103	0.384
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0035	0.0007	0.0025
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0118	0.0858	0.4083
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0037	0.0035	0.0122
Loa Loa (eye worm)	beta-lactamase	0.0037	0.0035	0.0122
Brugia malayi	RNA binding protein	0.0315	0.2873	1
Brugia malayi	beta-lactamase family protein	0.0037	0.0035	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0007	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0035	0.0122
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0118	0.0858	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0035	1
Echinococcus multilocularis	tumor protein p63	0.1012	1	1
Mycobacterium leprae	Probable lipase LipE	0.0037	0.0035	0.0328
Echinococcus granulosus	beta LACTamase domain containing family member	0.0037	0.0035	0.0028
Brugia malayi	AMP-binding enzyme family protein	0.0118	0.0858	0.2988
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0315	0.2873	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0083	0.0505	0.2386
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0035	0.0134
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0142	0.1103	0.1097
Trichomonas vaginalis	penicillin-binding protein, putative	0.0037	0.0035	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0035	1
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0118	0.0858	0.7766
Trichomonas vaginalis	esterase, putative	0.0037	0.0035	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0037	0.0035	0.0092
Brugia malayi	AMP-binding enzyme family protein	0.0035	0.0007	0.0025
Brugia malayi	AMP-binding enzyme family protein	0.0035	0.0007	0.0025
Brugia malayi	oxidoreductase, short chain dehydrogenase/reductase family protein	0.0035	0.0007	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0554	0.1927
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0083	0.0505	0.2386
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0088	0.0554	0.6421
Onchocerca volvulus		0.0148	0.1168	1
Entamoeba histolytica	hypothetical protein	0.0142	0.1103	1
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0118	0.0858	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0118	0.0858	1
Mycobacterium leprae	conserved hypothetical protein	0.0037	0.0035	0.0328
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0035	0.0511
Loa Loa (eye worm)	hypothetical protein	0.0148	0.1168	0.4064
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0035	0.0122
Brugia malayi	beta-lactamase	0.0037	0.0035	0.0122
Echinococcus granulosus	tar DNA binding protein	0.0315	0.2873	0.2868
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0007	0.0025
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0083	0.0505	0.2386
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0118	0.0858	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0554	0.1927
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.016	0.0558
Schistosoma mansoni	tar DNA-binding protein	0.0315	0.2873	0.7506
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0118	0.0858	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0239	0.2092	1
Schistosoma mansoni	hypothetical protein	0.0378	0.3518	0.919
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0858	0.2988
Schistosoma mansoni	thyroid hormone receptor	0.0408	0.3828	1
Onchocerca volvulus		0.0037	0.0035	0.0241
Onchocerca volvulus		0.0118	0.0858	0.7335
Leishmania major	4-coumarate:coa ligase-like protein	0.0118	0.0858	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0554	0.1927
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0037	0.0035	0.0028
Brugia malayi	TAR-binding protein	0.0315	0.2873	1
Schistosoma mansoni	tar DNA-binding protein	0.0315	0.2873	0.7506
Mycobacterium ulcerans	beta-lactamase	0.0037	0.0035	0.0328
Onchocerca volvulus		0.0037	0.0035	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0035	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0035	0.0122
Trypanosoma cruzi	hypothetical protein, conserved	0.0037	0.0035	1
Mycobacterium tuberculosis	Conserved protein	0.0037	0.0035	0.0134
Trichomonas vaginalis	D-aminoacylase, putative	0.0037	0.0035	1
Trypanosoma brucei	hypothetical protein, conserved	0.0037	0.0035	1
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0554	0.1927
Mycobacterium ulcerans	hypothetical protein	0.0037	0.0035	0.0328
Brugia malayi	AMP-binding enzyme family protein	0.0118	0.0858	0.2988
Loa Loa (eye worm)	AMP-binding enzyme family protein	0.0035	0.0007	0.0025
Entamoeba histolytica	acyl-coA synthetase, putative	0.0118	0.0858	0.7766
Mycobacterium tuberculosis	Probable hydrolase	0.0037	0.0035	0.0134
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0037	0.0035	0.0122
Brugia malayi	beta-lactamase family protein	0.0037	0.0035	0.0122
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0858	0.2988
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0118	0.0858	1
Plasmodium vivax	acyl-CoA synthetase, putative	0.0088	0.0554	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0118	0.0858	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0037	0.0035	0.0134
Mycobacterium ulcerans	lipase LipD	0.0037	0.0035	0.0328
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.016	0.0558
Mycobacterium ulcerans	hypothetical protein	0.0118	0.0858	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0088	0.0554	0.5
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0037	0.0035	0.0134
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0037	0.0035	0.0134
Brugia malayi	RNA recognition motif domain containing protein	0.0315	0.2873	1
Schistosoma mansoni	thyroid hormone receptor	0.0408	0.3828	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0118	0.0858	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0035	0.0122
Entamoeba histolytica	hypothetical protein	0.0142	0.1103	1
Onchocerca volvulus		0.0037	0.0035	0.0241
Loa Loa (eye worm)	RNA binding protein	0.0315	0.2873	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0118	0.0858	0.4083

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 760719