TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 296.382 | Formula: C19H21FN2
H donors: 0 H acceptors: 0 LogP: 4.49 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: FCCCN(c1ccc(cc1)c1cc2c(n1C)cccc2)C
InChi: 1S/C19H21FN2/c1-21(13-5-12-20)17-10-8-15(9-11-17)19-14-16-6-3-4-7-18(16)22(19)2/h3-4,6-11,14H,5,12-13H2,1-2H3
InChiKey: PJQNBDMVZSYNBE-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
Echinococcus multilocularis	pyruvate kinase	0.0032	0.3035	0.3035
Trypanosoma brucei	pyruvate kinase 1, putative	0.0032	0.3035	0.5
Echinococcus multilocularis	pyruvate kinase	0.0032	0.3035	0.3035
Brugia malayi	Pyruvate kinase, M2 isozyme	0.0032	0.3035	0.1843
Loa Loa (eye worm)	sema domain-containing protein	0.0024	0.1462	0.0354
Giardia lamblia	Pyruvate kinase	0.0032	0.3035	1
Plasmodium vivax	pyruvate kinase, putative	0.0032	0.3035	1
Schistosoma mansoni	hypothetical protein	0.0034	0.3295	0.4141
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.3035	0.2422
Brugia malayi	Pyruvate kinase, muscle isozyme	0.0032	0.3035	0.1843
Schistosoma mansoni	hypothetical protein	0.0024	0.1462	0.1837
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.3035	0.2422
Brugia malayi	Plexin repeat family protein	0.0058	0.7957	0.7608
Toxoplasma gondii	pyruvate kinase PyK1	0.0032	0.3035	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.7957	0.7692
Echinococcus granulosus	semaphorin 5B	0.0024	0.1462	0.1462
Plasmodium falciparum	pyruvate kinase	0.0032	0.3035	1
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0032	0.3035	0.5
Echinococcus granulosus	pyruvate kinase	0.0032	0.3035	0.3035
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.3035	0.2132
Echinococcus multilocularis	pyruvate kinase	0.0026	0.1721	0.1721
Echinococcus granulosus	semaphorin 1A	0.0024	0.1462	0.1462
Schistosoma mansoni	plexin	0.0058	0.7957	1
Echinococcus multilocularis	hypothetical protein	0.0024	0.1462	0.1462
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1462	0.0354
Loa Loa (eye worm)	sema domain-containing protein	0.0024	0.1462	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1462	0.0354
Leishmania major	pyruvate kinase	0.0032	0.3035	0.5
Trypanosoma brucei	pyruvate kinase 1	0.0032	0.3035	0.5
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.3035	0.2132
Mycobacterium leprae	Probable pyruvate kinase PykA	0.0032	0.3035	0.5
Echinococcus multilocularis	plexin a4	0.0068	1	1
Trypanosoma cruzi	pyruvate kinase 2, putative	0.0032	0.3035	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1462	0.0354
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1462	0.0354
Entamoeba histolytica	pyruvate kinase, putative	0.0023	0.1148	0.5
Onchocerca volvulus	Pyruvate kinase homolog	0.0032	0.3035	0.2422
Loa Loa (eye worm)	plexin A	0.0068	1	1
Onchocerca volvulus		0.0058	0.7957	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.3295	0.2425
Mycobacterium tuberculosis	Probable pyruvate kinase PykA	0.0032	0.3035	0.5
Schistosoma mansoni	pyruvate kinase	0.0032	0.3035	0.3814
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1462	0.0354
Chlamydia trachomatis	pyruvate kinase	0.0032	0.3035	0.5
Schistosoma mansoni	plexin	0.0034	0.3295	0.4141
Schistosoma mansoni	pyruvate kinase	0.0032	0.3035	0.3814
Schistosoma mansoni	semaphorin 5-related	0.0024	0.1462	0.1837
Loa Loa (eye worm)	hypothetical protein	0.0032	0.3035	0.2132
Leishmania major	pyruvate kinase	0.0032	0.3035	0.5
Mycobacterium ulcerans	pyruvate kinase	0.0032	0.3035	0.5
Trichomonas vaginalis	pyruvate kinase, putative	0.0032	0.3035	0.5
Echinococcus granulosus	pyruvate kinase	0.0032	0.3035	0.3035
Echinococcus multilocularis	semaphorin 5B	0.0024	0.1462	0.1462
Loa Loa (eye worm)	pyruvate kinase	0.0032	0.3035	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0024	0.1462	0.0354
Trichomonas vaginalis	pyruvate kinase, putative	0.0032	0.3035	0.5
Schistosoma mansoni	hypothetical protein	0.0024	0.1462	0.1837
Echinococcus granulosus	plexin a4	0.0068	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

ChEMBL: CHEMBL2397724

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 1764465