TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 403.474 | Formula: C24H25N3O3
H donors: 0 H acceptors: 3 LogP: 2.75 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: C=CCN(C(=O)c1ccc(cc1)OC1CCN(CC1)C(=O)c1cccnc1)CC#C
InChi: 1S/C24H25N3O3/c1-3-14-26(15-4-2)23(28)19-7-9-21(10-8-19)30-22-11-16-27(17-12-22)24(29)20-6-5-13-25-18-20/h1,4-10,13,18,22H,2,11-12,14-17H2
InChiKey: SQGBIBDZZCGSBD-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
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.2059	1
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.2059	1
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.2059	0.2059
Plasmodium falciparum	pyruvate kinase	0.0034	0.2059	1
Leishmania major	pyruvate kinase	0.0034	0.2059	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0125	1	1
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0034	0.2059	0.2059
Schistosoma mansoni	pyruvate kinase	0.0017	0.0643	0.0643
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0034	0.2059	0.5
Mycobacterium ulcerans	pyruvate kinase	0.0034	0.2059	0.5
Echinococcus granulosus	tar DNA binding protein	0.0125	1	1
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0643	0.0643
Echinococcus granulosus	pyruvate kinase	0.0034	0.2059	0.2059
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.2059	0.2059
Giardia lamblia	Pyruvate kinase	0.0034	0.2059	1
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0034	0.2059	0.2059
Chlamydia trachomatis	pyruvate kinase	0.0034	0.2059	0.5
Echinococcus granulosus	pyruvate kinase	0.0017	0.0643	0.0643
Loa Loa (eye worm)	pyruvate kinase-PB	0.0023	0.1179	0.1179
Echinococcus granulosus	pyruvate kinase	0.0017	0.0643	0.0643
Echinococcus multilocularis	pyruvate kinase	0.0034	0.2059	0.2059
Trypanosoma brucei	pyruvate kinase 1	0.0034	0.2059	0.5
Echinococcus multilocularis	pyruvate kinase	0.0034	0.2059	0.2059
Brugia malayi	TAR-binding protein	0.0125	1	1
Trichomonas vaginalis	pyruvate kinase, putative	0.0034	0.2059	0.5
Echinococcus granulosus	pyruvate kinase	0.0017	0.0643	0.0643
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0125	1	1
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0643	0.0643
Trichomonas vaginalis	pyruvate kinase, putative	0.0034	0.2059	0.5
Schistosoma mansoni	pyruvate kinase	0.0034	0.2059	0.2059
Onchocerca volvulus	Pyruvate kinase homolog	0.0034	0.2059	1
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.1179	0.5
Loa Loa (eye worm)	hypothetical protein	0.0034	0.2059	0.2059
Echinococcus multilocularis	pyruvate kinase	0.0026	0.1446	0.1446
Echinococcus multilocularis	pyruvate kinase	0.0017	0.0643	0.0643
Schistosoma mansoni	pyruvate kinase	0.0034	0.2059	0.2059
Echinococcus multilocularis	tar DNA binding protein	0.0125	1	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.1179	0.1179
Echinococcus granulosus	pyruvate kinase	0.0034	0.2059	0.2059
Brugia malayi	RNA recognition motif domain containing protein	0.0125	1	1
Leishmania major	pyruvate kinase	0.0034	0.2059	0.5
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0034	0.2059	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0125	1	1
Loa Loa (eye worm)	pyruvate kinase	0.0034	0.2059	0.2059
Toxoplasma gondii	pyruvate kinase PyK1	0.0034	0.2059	1
Brugia malayi	Pyruvate kinase, alpha/beta domain containing protein	0.001	0.0031	0.0031
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0034	0.2059	0.5
Loa Loa (eye worm)	TAR-binding protein	0.0125	1	1
Plasmodium vivax	pyruvate kinase, putative	0.0034	0.2059	1
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0034	0.2059	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0125	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0125	1	1
Loa Loa (eye worm)	RNA binding protein	0.0125	1	1
Trypanosoma brucei	pyruvate kinase 1, putative	0.0034	0.2059	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0125	1	1

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 775731