TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 405.394 | Formula: C19H14F3N3O2S
H donors: 1 H acceptors: 3 LogP: 3.24 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)S(=O)(=O)N1[C@H](C2CC2)c2c[nH]nc2c2c1cc(F)c(c2)F
InChi: 1S/C19H14F3N3O2S/c20-11-3-5-12(6-4-11)28(26,27)25-17-8-16(22)15(21)7-13(17)18-14(9-23-24-18)19(25)10-1-2-10/h3-10,19H,1-2H2,(H,23,24)/t19-/m1/s1
InChiKey: FCEYYAAYMFUVEU-LJQANCHMSA-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
Loa Loa (eye worm)	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
Schistosoma japonicum	ko:K06172 anterior pharynx defective 1, putative	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

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
Brugia malayi	Protein kinase domain containing protein	0.0634	1	1
Echinococcus granulosus	tyrosine kinase	0.0634	1	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0387	0.269	0.269
Schistosoma mansoni	hypothetical protein	0.0387	0.269	0.269
Echinococcus multilocularis	signal transduction protein lnk realted	0.0387	0.269	0.269
Loa Loa (eye worm)	TK/FER protein kinase	0.0634	1	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0387	0.269	0.269
Brugia malayi	Variant SH3 domain containing protein	0.0387	0.269	0.269
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0387	0.269	0.269
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0387	0.269	0.269
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0634	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0634	1	1
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0387	0.269	0.269
Brugia malayi	SH2 domain containing protein	0.0634	1	1
Schistosoma mansoni	shc transforming protein	0.0387	0.269	0.269
Onchocerca volvulus		0.0634	1	1
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0387	0.269	0.269
Schistosoma mansoni	GTPase activating protein	0.0387	0.269	0.269
Loa Loa (eye worm)	TK protein kinase	0.0634	1	1
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0387	0.269	0.269
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0634	1	1
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0387	0.269	0.269
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Loa Loa (eye worm)	SH2 domain-containing protein	0.0387	0.269	0.269
Brugia malayi	SH2 domain containing protein	0.0387	0.269	0.269
Echinococcus multilocularis	tensin	0.0387	0.269	0.269
Echinococcus granulosus	SHC transforming protein 3	0.0387	0.269	0.269
Loa Loa (eye worm)	TK/FER protein kinase	0.0634	1	1
Brugia malayi	Protein kinase domain containing protein	0.0634	1	1
Echinococcus multilocularis		0.0387	0.269	0.269
Echinococcus multilocularis	tyrosine kinase	0.0634	1	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0387	0.269	0.269
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0634	1	1
Brugia malayi	SH2 domain containing protein	0.0387	0.269	0.269
Onchocerca volvulus		0.0634	1	1
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0387	0.269	0.269
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0634	1	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0387	0.269	0.269
Schistosoma mansoni	tensin	0.0387	0.269	0.269
Schistosoma mansoni	tyrosine kinase	0.0634	1	1
Echinococcus multilocularis	tyrosine protein kinase shark	0.0634	1	1
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0387	0.269	0.269
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0387	0.269	0.269
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0634	1	1
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0387	0.269	0.269
Loa Loa (eye worm)	SRC-1	0.0634	1	1
Echinococcus multilocularis	NCK adaptor protein	0.0387	0.269	0.269
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0387	0.269	0.269
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0634	1	1
Echinococcus granulosus	growth factor receptor bound protein 2	0.0387	0.269	0.269
Loa Loa (eye worm)	SH2 domain-containing protein	0.0387	0.269	0.269
Echinococcus granulosus	SH2 domain containing protein 7	0.0387	0.269	0.269
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0387	0.269	0.269
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0634	1	1
Echinococcus multilocularis	tensin	0.0387	0.269	0.269
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0387	0.269	0.269
Schistosoma mansoni	tensin	0.0387	0.269	0.269
Loa Loa (eye worm)	hypothetical protein	0.0634	1	1
Schistosoma mansoni	tyrosine kinase	0.0634	1	1
Brugia malayi	SH2 domain containing protein	0.0387	0.269	0.269
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0387	0.269	0.269
Onchocerca volvulus		0.0634	1	1
Brugia malayi	Variant SH3 domain containing protein	0.0387	0.269	0.269
Brugia malayi	Protein kinase domain containing protein	0.0634	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0634	1	1
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0387	0.269	0.269
Schistosoma mansoni	suppressor of cytokine signaling	0.0387	0.269	0.269
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0634	1	1
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0634	1	1
Echinococcus granulosus	hypothetical protein	0.0387	0.269	0.269
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0387	0.269	0.269
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0387	0.269	0.269
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Brugia malayi	Sex muscle abnormal protein 5	0.0387	0.269	0.269
Schistosoma mansoni	tyrosine kinase	0.0634	1	1
Schistosoma mansoni	SH2A	0.0387	0.269	0.269
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0634	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0634	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0634	1	1
Echinococcus multilocularis	SH2 motif	0.0387	0.269	0.269
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0387	0.269	0.269
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0634	1	1
Brugia malayi	RhoGAP domain containing protein	0.0387	0.269	0.269
Brugia malayi	tRNA modification GTPase TrmE family protein	0.0387	0.269	0.269
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0387	0.269	0.269
Brugia malayi	SH2 domain containing protein	0.0387	0.269	0.269
Echinococcus granulosus	NCK adaptor protein	0.0387	0.269	0.269
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0634	1	1
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0634	1	1
Schistosoma mansoni	signal transduction protein lnk-related	0.0387	0.269	0.269
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Schistosoma mansoni	tensin	0.0387	0.269	0.269
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0387	0.269	0.269
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0387	0.269	0.269
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0634	1	1
Echinococcus multilocularis	SH2 motif	0.0387	0.269	0.269
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0387	0.269	0.269
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0387	0.269	0.269
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0387	0.269	0.269
Echinococcus granulosus	tensin	0.0387	0.269	0.269
Schistosoma mansoni	growth factor receptor-bound protein	0.0387	0.269	0.269
Echinococcus multilocularis	c src tyrosine kinase	0.0634	1	1
Brugia malayi	SH2 domain containing protein	0.0387	0.269	0.269
Schistosoma mansoni	tyrosine kinase	0.0634	1	1
Schistosoma mansoni	nck2/grb4	0.0387	0.269	0.269
Brugia malayi	SH2 domain containing protein	0.0387	0.269	0.269
Brugia malayi	hypothetical protein	0.0387	0.269	0.269
Schistosoma mansoni	suppressor of cytokine signaling	0.0387	0.269	0.269
Echinococcus granulosus	tyrosine protein kinase Srms	0.0634	1	1
Schistosoma mansoni	vav2	0.0387	0.269	0.269
Loa Loa (eye worm)	SH2 domain-containing protein	0.0387	0.269	0.269
Echinococcus granulosus	SH2 motif	0.0387	0.269	0.269
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Echinococcus multilocularis	SH2 domain containing protein 7	0.0387	0.269	0.269
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0634	1	1
Echinococcus granulosus	SH2 motif	0.0387	0.269	0.269
Echinococcus granulosus	tyrosine protein kinase shark	0.0634	1	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0634	1	1
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0387	0.269	0.269
Echinococcus multilocularis	SH2 motif	0.0387	0.269	0.269
Loa Loa (eye worm)	TK/FER protein kinase	0.0634	1	1
Echinococcus granulosus	tyrosine protein kinase Blk	0.0634	1	1
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0634	1	1
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0634	1	1
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0634	1	1
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Onchocerca volvulus		0.0634	1	1
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Brugia malayi	cytokine inducible SH2-containing protein 5	0.0387	0.269	0.269
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0634	1	1
Brugia malayi	Variant SH3 domain containing protein	0.0387	0.269	0.269
Schistosoma mansoni	adapter molecule crk	0.0387	0.269	0.269
Echinococcus granulosus	N chimaerin	0.0387	0.269	0.269
Brugia malayi	protein-tyrosine kinase	0.0634	1	1
Brugia malayi	Tensin	0.0387	0.269	0.269
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0634	1	1
Loa Loa (eye worm)	TK/ABL protein kinase	0.0634	1	1
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0634	1	1
Brugia malayi	Variant SH3 domain containing protein	0.0387	0.269	0.269
Schistosoma mansoni	hypothetical protein	0.0387	0.269	0.269
Brugia malayi	hypothetical protein	0.0634	1	1
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0634	1	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0634	1	1
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0387	0.269	0.269
Schistosoma mansoni	tensin-related	0.0387	0.269	0.269
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0387	0.269	0.269
Loa Loa (eye worm)	TK/FER protein kinase	0.0634	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0634	1	1
Echinococcus granulosus	signal transduction protein lnk realted	0.0387	0.269	0.269
Echinococcus granulosus	tyrosine kinase	0.0634	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0634	1	1
Echinococcus multilocularis	SHC transforming protein 3	0.0387	0.269	0.269
Brugia malayi	SRC-1	0.0634	1	1
Echinococcus granulosus	expressed conserved protein	0.0387	0.269	0.269
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0634	1	1
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0387	0.269	0.269
Onchocerca volvulus		0.0634	1	1
Brugia malayi	Tyrosine-protein kinase abl-1	0.0634	1	1
Echinococcus granulosus	c src tyrosine kinase	0.0634	1	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0634	1	1
Brugia malayi	SH2 domain containing protein	0.0634	1	1
Schistosoma mansoni	tyrosine kinase	0.0634	1	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0634	1	1
Onchocerca volvulus		0.0634	1	1
Loa Loa (eye worm)	STAT protein	0.0387	0.269	0.269
Brugia malayi	SH2 domain containing protein	0.0387	0.269	0.269
Loa Loa (eye worm)	hypothetical protein	0.0387	0.269	0.269
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0634	1	1
Schistosoma mansoni	tyrosine kinase	0.0634	1	1
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0387	0.269	0.269
Loa Loa (eye worm)	TK/FER protein kinase	0.0634	1	1
Schistosoma mansoni	tensin-related	0.0387	0.269	0.269
Brugia malayi	Protein kinase domain containing protein	0.0634	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0634	1	1
Echinococcus multilocularis	N chimaerin	0.0387	0.269	0.269

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.33 nM	Inhibition of partially purified human gamma-secretase-mediated cleavage of MBP-APPc125Sw fusion protein measured after overnight incubation by ELISA	ChEMBL.	23713656
IC50 (binding)	= 9.6 nM	Inhibition of partially purified human gamma-secretase-mediated cleavage of notch fusion protein measured after overnight incubation by ELISA	ChEMBL.	23713656
Stabilty (ADMET)	= 93 %	Glucuronidation metabolism in mouse liver microsomes assessed as compound remaining	ChEMBL.	23713656

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: CHEMBL2396777

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 1761616