TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 471.257 | Formula: C21H15Cl2F3N2O3
H donors: 0 H acceptors: 2 LogP: 4.77 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N(c2ccc(c(c2)Cl)Cl)C(=O)C(=C1c1ccc(cc1)C(F)(F)F)N1CCOCC1
InChi: 1S/C21H15Cl2F3N2O3/c22-15-6-5-14(11-16(15)23)28-19(29)17(12-1-3-13(4-2-12)21(24,25)26)18(20(28)30)27-7-9-31-10-8-27/h1-6,11H,7-10H2
InChiKey: NPKRQVSNAQOMKB-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	puromycin sensitive aminopeptidase	0.0025	0.0115	0.0115
Entamoeba histolytica	aminopeptidase, putative	0.0025	0.0115	0.5
Brugia malayi	Peptidase family M1 containing protein	0.0025	0.0115	0.0264
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0248	0.506	0.506
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0025	0.0115	0.0115
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0118	0.2189	0.2189
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0025	0.0115	0.0115
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0025	0.0115	0.0115
Echinococcus granulosus	transient receptor potential cation channel	0.0163	0.3175	0.3175
Loa Loa (eye worm)	aminopeptidase N	0.0025	0.0115	0.0115
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0025	0.0115	0.0115
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0025	0.0115	1
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0025	0.0115	1
Trypanosoma brucei	aminopeptidase, putative	0.0025	0.0115	0.5
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0025	0.0115	0.5
Schistosoma mansoni	lipoxygenase	0.0118	0.2189	0.2189
Schistosoma mansoni	transient receptor potential cation channel subfamily A member	0.016	0.3103	0.3103
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0115	0.0115
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0025	0.0115	0.0115
Toxoplasma gondii	aminopeptidase n, putative	0.0025	0.0115	0.5
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0025	0.0115	0.0115
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.047	1	1
Loa Loa (eye worm)	hypothetical protein	0.0248	0.506	0.506
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0025	0.0115	0.0115
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0025	0.0115	0.0115
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0025	0.0115	0.5
Mycobacterium ulcerans	aminopeptidase N PepN	0.0025	0.0115	0.5
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0025	0.0115	0.5
Loa Loa (eye worm)	TATA binding protein associated factor	0.0025	0.0115	0.0115
Echinococcus multilocularis	transient receptor potential cation channel	0.0163	0.318	0.318
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0025	0.0115	0.5
Echinococcus multilocularis	serotonin receptor	0.0248	0.506	0.506
Toxoplasma gondii	aminopeptidase N, putative	0.0025	0.0115	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0025	0.0115	0.0115
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0025	0.0115	0.5
Echinococcus granulosus	aminopeptidase N	0.0025	0.0115	0.0115
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0025	0.0115	0.5
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0025	0.0115	0.5
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0025	0.0115	1
Echinococcus multilocularis	serotonin receptor	0.0248	0.506	0.506
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0025	0.0115	0.5
Echinococcus granulosus	ankyrin repeat protein	0.016	0.3103	0.3103
Trypanosoma brucei	Aminopeptidase M1, putative	0.0025	0.0115	0.5
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.047	1	1
Echinococcus multilocularis	ankyrin repeat protein	0.016	0.3103	0.3103
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0025	0.0115	0.5
Trypanosoma cruzi	aminopeptidase, putative	0.0025	0.0115	0.5
Brugia malayi	hypothetical protein	0.0025	0.0115	0.0264
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0025	0.0115	0.0115
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0118	0.2189	0.2189
Brugia malayi	Peptidase family M1 containing protein	0.0025	0.0115	0.0264
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0025	0.0115	0.5
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0025	0.0115	0.0115
Mycobacterium ulcerans	aminopeptidase N PepN	0.0025	0.0115	0.5
Brugia malayi	Peptidase family M1 containing protein	0.0025	0.0115	0.0264
Echinococcus multilocularis	aminopeptidase N	0.0025	0.0115	0.0115
Brugia malayi	hypothetical protein	0.0025	0.0115	0.0264
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0025	0.0115	0.5
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0115	0.0115
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0025	0.0115	0.0115
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0025	0.0115	0.5
Trypanosoma cruzi	aminopeptidase, putative	0.0025	0.0115	0.5
Schistosoma mansoni	lipoxygenase	0.0083	0.1398	0.1398
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.047	1	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0115	0.0115
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0025	0.0115	0.0115
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0025	0.0115	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0025	0.0115	0.0115
Onchocerca volvulus		0.0025	0.0115	1
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0025	0.0115	0.0115
Toxoplasma gondii	aminopeptidase N protein	0.0025	0.0115	0.5
Onchocerca volvulus		0.0025	0.0115	1
Brugia malayi	hypothetical protein	0.0216	0.436	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0025	0.0115	0.0115
Loa Loa (eye worm)	hypothetical protein	0.0248	0.506	0.506
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0025	0.0115	0.5
Onchocerca volvulus		0.0025	0.0115	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0248	0.506	0.506
Trypanosoma brucei	Aminopeptidase M1, putative	0.0025	0.0115	0.5
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0025	0.0115	1
Brugia malayi	TATA binding protein associated factor	0.0025	0.0115	0.0264

Activities

Activity type	Activity value	Assay description	Source	Reference
LD50 (functional)	> 80 uM	Cytotoxicity against HEK293 cells after 24 hrs	ChEMBL.	23231413

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: CHEMBL2316732

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 1739379