TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 425.36 | Formula: C17H11F4N5O2S
H donors: 1 H acceptors: 5 LogP: 1.15 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cnc2c(c1)[C@H]1Cc3c([C@@H]2N1S(=O)(=O)c1ccc(nc1)C(F)(F)F)c[nH]n3
InChi: 1S/C17H11F4N5O2S/c18-8-3-10-13-4-12-11(7-24-25-12)16(15(10)23-5-8)26(13)29(27,28)9-1-2-14(22-6-9)17(19,20)21/h1-3,5-7,13,16H,4H2,(H,24,25)/t13-,16+/m1/s1
InChiKey: DBBDPKUPNWYZPS-CJNGLKHVSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	APH1B gamma secretase subunit	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Brugia malayi	gamma-secretase subunit aph-1	Get druggable targets OG5_130831	All targets in OG5_130831
Schistosoma mansoni	gamma-secretase subunit aph-1	Get druggable targets OG5_130831	All targets in OG5_130831
Schistosoma japonicum	ko:K06172 anterior pharynx defective 1, putative	Get druggable targets OG5_130831	All targets in OG5_130831
Loa Loa (eye worm)	gamma-secretase subunit aph-1	Get druggable targets OG5_130831	All targets in OG5_130831
Echinococcus multilocularis	gamma secretase subunit aph 1	Get druggable targets OG5_130831	All targets in OG5_130831
Echinococcus granulosus	gamma secretase subunit aph 1	Get druggable targets OG5_130831	All targets in OG5_130831

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
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.043	0.5151	1
Trypanosoma cruzi	hypothetical protein, conserved	0.043	0.5151	0.5
Onchocerca volvulus		0.043	0.5151	0.5
Schistosoma mansoni	tripartite motif protein trim9	0.043	0.5151	0.5151
Onchocerca volvulus		0.043	0.5151	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.043	0.5151	0.5151
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.043	0.5151	1
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Onchocerca volvulus		0.043	0.5151	0.5
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.043	0.5151	1
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.043	0.5151	1
Schistosoma mansoni	hypothetical protein	0.043	0.5151	0.5151
Brugia malayi	hypothetical protein	0.043	0.5151	1
Echinococcus multilocularis	anosmin 1	0.043	0.5151	0.5151
Echinococcus granulosus	titin	0.043	0.5151	0.5151
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.043	0.5151	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.043	0.5151	1
Echinococcus multilocularis	anosmin 1	0.043	0.5151	0.5151
Schistosoma mansoni	titin	0.043	0.5151	0.5151
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.043	0.5151	0.5151
Brugia malayi	Fibronectin type III domain containing protein	0.043	0.5151	1
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.043	0.5151	0.5
Brugia malayi	Lethal protein 805	0.043	0.5151	1
Brugia malayi	Fibronectin type III domain containing protein	0.043	0.5151	1
Echinococcus multilocularis	Netrin receptor DCC	0.043	0.5151	0.5151
Schistosoma mansoni	myosin-binding protein-related	0.043	0.5151	0.5151
Brugia malayi	myotactin form A	0.043	0.5151	1
Schistosoma mansoni	hypothetical protein	0.043	0.5151	0.5151
Trypanosoma brucei	Fibronectin type III domain containing protein, putative	0.043	0.5151	0.5
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.043	0.5151	1
Schistosoma mansoni	factor for adipocyte differentiation	0.043	0.5151	0.5151
Echinococcus granulosus	G1Y162 protein	0.043	0.5151	0.5151
Brugia malayi	Immunoglobulin I-set domain containing protein	0.043	0.5151	1
Echinococcus multilocularis	roundabout 2	0.043	0.5151	0.5151
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.043	0.5151	1
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Schistosoma mansoni	nephrin	0.043	0.5151	0.5151
Loa Loa (eye worm)	myotactin form A	0.043	0.5151	1
Schistosoma mansoni	hypothetical protein	0.043	0.5151	0.5151
Onchocerca volvulus		0.043	0.5151	0.5
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0557	1	1
Echinococcus granulosus	anosmin 1	0.043	0.5151	0.5151
Brugia malayi	Fibronectin type III domain containing protein	0.043	0.5151	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.043	0.5151	0.5151
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.043	0.5151	1
Schistosoma mansoni	cell adhesion molecule	0.043	0.5151	0.5151
Echinococcus granulosus	Netrin receptor DCC	0.043	0.5151	0.5151
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.043	0.5151	0.5151
Brugia malayi	Immunoglobulin I-set domain containing protein	0.043	0.5151	1
Echinococcus multilocularis	anosmin 1	0.043	0.5151	0.5151
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.043	0.5151	1
Brugia malayi	Fibronectin type III domain containing protein	0.043	0.5151	1
Schistosoma mansoni	titin	0.043	0.5151	0.5151
Onchocerca volvulus		0.043	0.5151	0.5
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.043	0.5151	0.5151
Brugia malayi	Immunoglobulin I-set domain containing protein	0.043	0.5151	1
Echinococcus granulosus	Fibronectin type III domain containing protein	0.043	0.5151	0.5151
Echinococcus granulosus	anosmin 1	0.043	0.5151	0.5151
Onchocerca volvulus		0.043	0.5151	0.5
Brugia malayi	Lethal protein 805	0.043	0.5151	1
Echinococcus granulosus	usherin	0.043	0.5151	0.5151
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.043	0.5151	1
Onchocerca volvulus		0.043	0.5151	0.5
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.043	0.5151	0.5
Echinococcus granulosus	nephrin	0.043	0.5151	0.5151
Brugia malayi	Immunoglobulin I-set domain containing protein	0.043	0.5151	1
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.043	0.5151	0.5151
Onchocerca volvulus		0.043	0.5151	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.043	0.5151	0.5151
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Echinococcus granulosus	roundabout 2	0.043	0.5151	0.5151
Echinococcus multilocularis	usherin	0.043	0.5151	0.5151
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.043	0.5151	1
Brugia malayi	SPRY domain containing protein	0.043	0.5151	1
Onchocerca volvulus		0.043	0.5151	0.5
Echinococcus granulosus	titin	0.043	0.5151	0.5151
Echinococcus multilocularis	neuroglian	0.043	0.5151	0.5151
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.043	0.5151	1
Echinococcus granulosus	roundabout 2	0.043	0.5151	0.5151
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.043	0.5151	0.5151
Schistosoma mansoni	ephrin receptor	0.0557	1	1
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Schistosoma mansoni	cell adhesion molecule	0.043	0.5151	0.5151
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.043	0.5151	0.5151
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.043	0.5151	1
Echinococcus granulosus	contactin	0.043	0.5151	0.5151
Schistosoma mansoni	factor for adipocyte differentiation	0.043	0.5151	0.5151
Schistosoma mansoni	titin	0.043	0.5151	0.5151
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Echinococcus granulosus	anosmin 1	0.043	0.5151	0.5151
Schistosoma mansoni	factor for adipocyte differentiation	0.043	0.5151	0.5151
Echinococcus granulosus	EG95	0.043	0.5151	0.5151
Schistosoma mansoni	serine/threonine protein kinase	0.043	0.5151	0.5151
Echinococcus multilocularis	Fibronectin type III domain containing protein	0.043	0.5151	0.5151
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.043	0.5151	0.5151
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Echinococcus granulosus	neuroglian	0.043	0.5151	0.5151
Onchocerca volvulus		0.043	0.5151	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.043	0.5151	1
Onchocerca volvulus		0.043	0.5151	0.5
Schistosoma mansoni	nephrin	0.043	0.5151	0.5151
Brugia malayi	Immunoglobulin I-set domain containing protein	0.043	0.5151	1
Loa Loa (eye worm)	projectin	0.043	0.5151	1
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.043	0.5151	1
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.043	0.5151	0.5151
Echinococcus multilocularis	Netrin receptor DCC	0.043	0.5151	0.5151
Echinococcus granulosus	Netrin receptor DCC	0.043	0.5151	0.5151
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.043	0.5151	1
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.043	0.5151	1
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Echinococcus multilocularis	Phosphotidylinositol phosphatase PTPRQ	0.043	0.5151	0.5151
Loa Loa (eye worm)	lethal protein 805	0.043	0.5151	1
Schistosoma mansoni	cell adhesion molecule	0.043	0.5151	0.5151
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.043	0.5151	0.5151
Echinococcus multilocularis	titin	0.043	0.5151	0.5151
Schistosoma mansoni	protein tyrosine phosphatase	0.043	0.5151	0.5151
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.043	0.5151	0.5151
Schistosoma mansoni	cell adhesion molecule	0.043	0.5151	0.5151
Brugia malayi	Immunoglobulin I-set domain containing protein	0.043	0.5151	1
Echinococcus multilocularis	fibronectin type III domain-containing protein	0.043	0.5151	0.5151
Brugia malayi	myotactin form B	0.043	0.5151	1
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.043	0.5151	0.5151
Leishmania major	hypothetical protein, conserved	0.043	0.5151	0.5
Echinococcus granulosus	fibronectin type III domain-containing protein	0.043	0.5151	0.5151
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Onchocerca volvulus		0.043	0.5151	0.5
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Schistosoma mansoni	neuroglian	0.043	0.5151	0.5151
Loa Loa (eye worm)	UNCoordinated family member	0.043	0.5151	1
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.043	0.5151	0.5151
Echinococcus multilocularis	roundabout 2	0.043	0.5151	0.5151
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.043	0.5151	1
Brugia malayi	Protein-tyrosine phosphatase	0.043	0.5151	1
Echinococcus multilocularis	transfer RNA-Phe	0.043	0.5151	0.5151
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.043	0.5151	1
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.043	0.5151	0.5151
Brugia malayi	hypothetical protein	0.043	0.5151	1
Schistosoma mansoni	hemicentin	0.043	0.5151	0.5151
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.043	0.5151	0.5151
Echinococcus multilocularis	cell adhesion molecule	0.043	0.5151	0.5151
Echinococcus granulosus	roundabout 2	0.043	0.5151	0.5151
Brugia malayi	Fibronectin type III domain containing protein	0.043	0.5151	1
Brugia malayi	protein unc-22	0.043	0.5151	1
Schistosoma mansoni	cell adhesion molecule	0.043	0.5151	0.5151
Echinococcus multilocularis	roundabout 2	0.043	0.5151	0.5151
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Onchocerca volvulus		0.043	0.5151	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.043	0.5151	0.5151
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.043	0.5151	0.5151
Echinococcus multilocularis	titin	0.043	0.5151	0.5151
Brugia malayi	Fibronectin type III domain containing protein	0.043	0.5151	1
Loa Loa (eye worm)	CAMK protein kinase	0.043	0.5151	1
Echinococcus multilocularis	Fibronectin, type III	0.043	0.5151	0.5151
Echinococcus granulosus	cell adhesion molecule	0.043	0.5151	0.5151
Loa Loa (eye worm)	hypothetical protein	0.043	0.5151	1
Echinococcus granulosus	Fibronectin type III	0.043	0.5151	0.5151
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.043	0.5151	0.5151
Onchocerca volvulus		0.043	0.5151	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 9.4 nM	Inhibition of gamma-secretase in human IMR32 cell membrane using APP as substrate after 2 hrs by ELISA	ChEMBL.	23312944

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: CHEMBL2396972

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1761686