TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.426 | Formula: C22H22FN3O4
H donors: 1 H acceptors: 3 LogP: 3.4 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CC(C[C@H]1C(=O)N[C@H](CN1C(=O)c1noc(c1)c1ccc(cc1)F)c1ccco1)C
InChi: 1S/C22H22FN3O4/c1-13(2)10-18-21(27)24-17(19-4-3-9-29-19)12-26(18)22(28)16-11-20(30-25-16)14-5-7-15(23)8-6-14/h3-9,11,13,17-18H,10,12H2,1-2H3,(H,24,27)/t17-,18+/m1/s1
InChiKey: LDNKDQRBNHMXOM-MSOLQXFVSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Toxoplasma gondii	ubiquitin-conjugating enzyme subfamily protein	0.0043	0.04	1
Echinococcus granulosus	leucine rich repeat serine:threonine protein	0.0235	0.2503	1
Brugia malayi	Ubiquitin conjugating enzyme protein 13	0.0043	0.04	0.1608
Echinococcus multilocularis	sterol regulatory element binding protein	0.0048	0.0451	0.0417
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0451	0.1813
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0043	0.04	0.8774
Entamoeba histolytica	ubiquitin-conjugating enzyme family protein	0.0043	0.04	0.3274
Schistosoma mansoni	hypothetical protein	0.0046	0.0432	0.3502
Leishmania major	ubiquitin-conjugating enzyme e2, putative	0.0043	0.04	1
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0048	0.0451	0.1813
Loa Loa (eye worm)	hypothetical protein	0.001	0.0035	0.0141
Echinococcus multilocularis	ubiquitin conjugating enzyme E2 N	0.0043	0.04	0.0366
Brugia malayi	Protein kinase domain containing protein	0.0234	0.2486	1
Trypanosoma brucei	ubiquitin-protein ligase, putative	0.0043	0.04	1
Echinococcus granulosus	Niemann Pick C1 protein	0.016	0.1674	0.6639
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0043	0.04	0.1608
Echinococcus granulosus	Protein patched homolog 1	0.0048	0.0451	0.1684
Plasmodium falciparum	ubiquitin-conjugating enzyme E2 N, putative	0.0043	0.04	1
Trichomonas vaginalis	ubiquitin-conjugating enzyme E2, putative	0.0043	0.04	0.8774
Loa Loa (eye worm)	hypothetical protein	0.001	0.0035	0.0141
Brugia malayi	Niemann-Pick C1 protein precursor	0.0112	0.1149	0.4622
Trichomonas vaginalis	conserved hypothetical protein	0.0048	0.0451	1
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0569	0.2288
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0112	0.1149	1
Echinococcus multilocularis	expressed conserved protein	0.0105	0.1075	0.1043
Brugia malayi	RAB, member of RAS oncogene family-like 5	0.001	0.0035	0.0141
Schistosoma mansoni	ubiquitin conjugating enzyme 13	0.0043	0.04	0.3219
Schistosoma mansoni	hypothetical protein	0.0046	0.0432	0.3502
Echinococcus multilocularis	protein dispatched 1	0.0055	0.0525	0.0492
Echinococcus multilocularis	leucine rich repeat serine:threonine protein	0.0234	0.2486	0.246
Echinococcus multilocularis	Niemann Pick C1 protein	0.016	0.1674	0.1644
Loa Loa (eye worm)	TKL/LRRK protein kinase	0.0234	0.2486	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0112	0.1149	0.4513
Brugia malayi	Ras-related protein ypt4	0.001	0.0035	0.0141
Loa Loa (eye worm)	hypothetical protein	0.0112	0.1149	0.4622
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0043	0.04	1
Trypanosoma cruzi	ubiquitin-conjugating enzyme E2, putative	0.0043	0.04	1
Onchocerca volvulus	Mitochondrial Rho GTPase homolog	0.001	0.0035	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0035	0.0141
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0113	0.1168	1
Brugia malayi	CHE-14 protein	0.0048	0.0451	0.1813
Brugia malayi	hypothetical protein	0.001	0.0035	0.0141
Echinococcus granulosus	sterol regulatory element binding protein	0.0048	0.0451	0.1684
Loa Loa (eye worm)	ubiquitin conjugating enzyme protein 13	0.0043	0.04	0.1608
Plasmodium falciparum	ras-related protein Rab-5A	0.001	0.0035	0.0878
Schistosoma mansoni	hypothetical protein	0.0046	0.0432	0.3502
Echinococcus granulosus	expressed conserved protein	0.0105	0.1075	0.4212
Plasmodium vivax	ubiquitin-conjugating enzyme E2 N, putative	0.0043	0.04	1
Echinococcus multilocularis	Niemann Pick C1 protein	0.0112	0.1149	0.1118
Schistosoma mansoni	hypothetical protein	0.0046	0.0432	0.3502
Onchocerca volvulus		0.001	0.0035	1
Echinococcus multilocularis	protein patched	0.0048	0.0451	0.0417
Brugia malayi	ubiquitin conjugating enzyme protein 13	0.0043	0.04	0.1608
Schistosoma mansoni	patched 1	0.0048	0.0451	0.3669
Plasmodium vivax	ras-related protein Rab-5A, putative	0.001	0.0035	0.0878
Echinococcus granulosus	ubiquitin conjugating enzyme E2 N	0.0043	0.04	0.1477

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: CHEMBL3120391

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 1833320