TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 327.328 | Formula: C18H15F2N3O
H donors: 1 H acceptors: 2 LogP: 2.78 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)c1ccc(c(c1)F)N(C(=O)C)Cc1nc[nH]c1
InChi: 1S/C18H15F2N3O/c1-12(24)23(10-16-9-21-11-22-16)18-7-4-14(8-17(18)20)13-2-5-15(19)6-3-13/h2-9,11H,10H2,1H3,(H,21,22)
InChiKey: MPGJKLBKGYIEDM-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
Trichomonas vaginalis	conserved hypothetical protein	0.0264	0.0711	0.5
Echinococcus multilocularis	regulator of G protein signaling 7	0.0264	0.0711	0.048
Entamoeba histolytica	hypothetical protein	0.0264	0.0711	0.5
Echinococcus granulosus	beta-adrenergic receptor kinase	0.027	0.0736	0.0509
Echinococcus multilocularis	expressed protein	0.0264	0.0711	0.048
Echinococcus granulosus	regulator of G protein signaling 3	0.0264	0.0711	0.048
Entamoeba histolytica	hypothetical protein	0.0264	0.0711	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0264	0.0711	0.048
Echinococcus multilocularis	regulator of G protein signaling 3	0.0264	0.0711	0.048
Schistosoma mansoni	serine/threonine protein kinase	0.027	0.0736	0.0736
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0264	0.0711	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0264	0.0711	0.5
Echinococcus granulosus	axis inhibition protein axin	0.0264	0.0711	0.048
Schistosoma mansoni	alkaline phosphatase	0.0157	0.0294	0.0294
Trichomonas vaginalis	conserved hypothetical protein	0.0264	0.0711	0.5
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0264	0.0711	0.048
Echinococcus multilocularis	regulator of G protein signaling 3	0.0264	0.0711	0.048
Schistosoma mansoni	regulator of G protein signaling	0.0264	0.0711	0.0711
Echinococcus multilocularis	regulator of G protein signaling	0.0264	0.0711	0.048
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0264	0.0711	0.0711
Schistosoma mansoni	regulator of G protein signaling	0.0264	0.0711	0.0711
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.027	0.0736	0.0027
Echinococcus granulosus	axis inhibition protein axin	0.0264	0.0711	0.048
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.2382	0.8971	1
Schistosoma mansoni	regulator of G protein signaling	0.0264	0.0711	0.0711
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.2382	0.8971	0.8892
Trichomonas vaginalis	conserved hypothetical protein	0.0264	0.0711	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0264	0.0711	0.048
Echinococcus granulosus	regulator of G protein signaling 3	0.0264	0.0711	0.048
Schistosoma mansoni	serine/threonine protein kinase	0.2646	1	1
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.2382	0.8971	0.8892
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0264	0.0711	0.0711
Echinococcus multilocularis	beta adrenergic receptor kinase	0.027	0.0736	0.0509
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0264	0.0711	0.0711
Schistosoma mansoni	serine/threonine protein kinase	0.027	0.0736	0.0736
Schistosoma mansoni	alkaline phosphatase	0.0157	0.0294	0.0294
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0264	0.0711	0.048
Entamoeba histolytica	hypothetical protein	0.0264	0.0711	0.5
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.2646	1	1
Echinococcus multilocularis	axis inhibition protein axin	0.0264	0.0711	0.048
Schistosoma mansoni	regulator of G protein signaling	0.0264	0.0711	0.0711
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.2382	0.8971	0.8892
Schistosoma mansoni	axis inhibition protein axin	0.0264	0.0711	0.0711
Trichomonas vaginalis	conserved hypothetical protein	0.0264	0.0711	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0264	0.0711	0.5
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.2382	0.8971	1
Echinococcus granulosus	Regulator of G protein signaling 20	0.0264	0.0711	0.048
Echinococcus multilocularis	axis inhibition protein axin	0.0264	0.0711	0.048
Echinococcus granulosus	expressed protein	0.0264	0.0711	0.048
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0264	0.0711	0.048
Schistosoma mansoni	axis inhibition protein axin	0.0264	0.0711	0.0711
Schistosoma mansoni	z-protein (S1r protein)	0.0264	0.0711	0.0711
Schistosoma mansoni	regulator of G protein signaling	0.0264	0.0711	0.0711
Echinococcus multilocularis	regulator of G protein signaling 7	0.0264	0.0711	0.048

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 0.00026 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC50 (functional)	= 0.00031 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC50 (functional)	< 0.0014 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC50 (functional)	= 0.0056 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC50 (functional)	= 0.028 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC50 (functional)	= 0.034 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC50 (functional)	= 0.038 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC50 (functional)	= 0.045 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC90 (functional)	= 0.035 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC90 (functional)	= 0.081 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC90 (functional)	= 0.083 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC90 (functional)	= 0.0905 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC90 (functional)	> 0.1 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC90 (functional)	= 0.112 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference
IC90 (functional)	= 0.19 uM	DNDI: Chagas in Vitro	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Trypanosoma cruzi	ChEMBL23

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: CHEMBL2448750

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 1790058