TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 544.593 | Formula: C29H23F3N6S
H donors: 1 H acceptors: 3 LogP: 5.82 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: N#Cc1ccc(nc1)N1CCN(CC1)Cc1ccc(cc1)c1ccc(s1)c1nc2c([nH]1)ccc(c2)C(F)(F)F
InChi: 1S/C29H23F3N6S/c30-29(31,32)22-6-7-23-24(15-22)36-28(35-23)26-9-8-25(39-26)21-4-1-19(2-5-21)18-37-11-13-38(14-12-37)27-10-3-20(16-33)17-34-27/h1-10,15,17H,11-14,18H2,(H,35,36)
InChiKey: VOBRTDLFNKJHSR-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 granulosus	puromycin sensitive aminopeptidase	0.01	0.0359	0.0359
Echinococcus multilocularis	aminopeptidase N	0.01	0.0359	0.0352
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.01	0.0359	0.0352
Loa Loa (eye worm)	hypothetical protein	0.01	0.0359	0.0352
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.01	0.0359	0.0359
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.01	0.0359	0.5
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.01	0.0359	0.5
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.01	0.0359	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.01	0.0359	0.0352
Brugia malayi	Peptidase family M1 containing protein	0.01	0.0359	0.0784
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.01	0.0359	0.0352
Loa Loa (eye worm)	hypothetical protein	0.01	0.0359	0.0352
Trypanosoma cruzi	Aminopeptidase M1, putative	0.01	0.0359	0.5
Loa Loa (eye worm)	transcription factor SMAD2	0.0139	0.0574	0.0567
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.01	0.0359	0.5
Loa Loa (eye worm)	peptidase family M1 containing protein	0.01	0.0359	0.0352
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.01	0.0359	0.0352
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.01	0.0359	0.0352
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0067	0.0181	0.0174
Trichomonas vaginalis	set domain proteins, putative	0.0277	0.1317	1
Brugia malayi	Peptidase family M1 containing protein	0.01	0.0359	0.0784
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.01	0.0359	0.5
Onchocerca volvulus		0.0277	0.1317	1
Brugia malayi	hypothetical protein	0.0864	0.4499	1
Brugia malayi	MH2 domain containing protein	0.0139	0.0574	0.1262
Onchocerca volvulus		0.01	0.0359	0.2686
Toxoplasma gondii	aminopeptidase n, putative	0.01	0.0359	1
Trypanosoma cruzi	aminopeptidase, putative	0.01	0.0359	0.5
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.01	0.0359	0.5
Brugia malayi	hypothetical protein	0.01	0.0359	0.0784
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.01	0.0359	0.0359
Loa Loa (eye worm)	aminopeptidase N	0.01	0.0359	0.0352
Trypanosoma cruzi	aminopeptidase, putative	0.01	0.0359	0.5
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.01	0.0359	0.0352
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.01	0.0359	0.5
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.01	0.0359	1
Brugia malayi	hypothetical protein	0.01	0.0359	0.0784
Trypanosoma brucei	Aminopeptidase M1, putative	0.01	0.0359	0.5
Echinococcus granulosus	aminopeptidase N	0.01	0.0359	0.0359
Onchocerca volvulus		0.01	0.0359	0.2686
Brugia malayi	Peptidase family M1 containing protein	0.01	0.0359	0.0784
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.01	0.0359	0.0352
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.01	0.0359	1
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.01	0.0359	0.5
Brugia malayi	Pre-SET motif family protein	0.0243	0.1135	0.2512
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.01	0.0359	0.0359
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.01	0.0359	0.0352
Toxoplasma gondii	aminopeptidase N protein	0.01	0.0359	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.0359	0.0352
Trypanosoma brucei	aminopeptidase, putative	0.01	0.0359	0.5
Mycobacterium ulcerans	aminopeptidase N PepN	0.01	0.0359	1
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0063	0.0157	0.015
Onchocerca volvulus		0.01	0.0359	0.2686
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.01	0.0359	0.0352
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0067	0.0181	0.0388
Loa Loa (eye worm)	MH2 domain-containing protein	0.0139	0.0574	0.0567
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0243	0.1135	0.1129
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.01	0.0359	0.0359
Toxoplasma gondii	aminopeptidase N, putative	0.01	0.0359	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0007	0.0007
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0067	0.0181	0.0174
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0067	0.0181	0.0181
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.01	0.0359	0.0359
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.01	0.0359	1
Loa Loa (eye worm)	TATA binding protein associated factor	0.01	0.0359	0.0352
Trypanosoma brucei	Aminopeptidase M1, putative	0.01	0.0359	0.5
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.01	0.0359	1
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.01	0.0359	0.5
Brugia malayi	TATA binding protein associated factor	0.01	0.0359	0.0784
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.01	0.0359	1
Mycobacterium ulcerans	aminopeptidase N PepN	0.01	0.0359	1
Entamoeba histolytica	aminopeptidase, putative	0.01	0.0359	0.5
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0067	0.0181	0.5
Schistosoma mansoni	aminopeptidase A (M01 family)	0.01	0.0359	0.0352

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: CHEMBL579444

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 1078958