TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 393.79 | Formula: C19H15ClF3N3O
H donors: 2 H acceptors: 2 LogP: 4.86 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(c(c1)c1n[nH]c(c1)C(=O)NCc1ccc(cc1)C(F)(F)F)C
InChi: 1S/C19H15ClF3N3O/c1-11-2-7-14(20)8-15(11)16-9-17(26-25-16)18(27)24-10-12-3-5-13(6-4-12)19(21,22)23/h2-9H,10H2,1H3,(H,24,27)(H,25,26)
InChiKey: MSBURAYOBQBSDP-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	tensin	0.0089	0.6202	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Brugia malayi	Variant SH3 domain containing protein	0.0089	0.6202	0.6202
Schistosoma mansoni	SH2A	0.0089	0.6202	0.6501
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0117	0.954	1
Onchocerca volvulus		0.0117	0.954	1
Echinococcus multilocularis	SH2 domain containing adapter protein F	0.0089	0.6202	0.6501
Echinococcus granulosus	growth factor receptor bound protein 2	0.0089	0.6202	0.6501
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0117	0.954	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0117	0.954	0.954
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Loa Loa (eye worm)	hypothetical protein	0.0082	0.5371	0.5371
Loa Loa (eye worm)	SH2 domain-containing protein	0.0089	0.6202	0.6202
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0117	0.954	1
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0089	0.6202	0.6501
Schistosoma mansoni	tyrosine kinase	0.0117	0.954	1
Brugia malayi	Variant SH3 domain containing protein	0.0089	0.6202	0.6202
Echinococcus granulosus	phosphatidylinositol 3 kinase regulatory subunit	0.0089	0.6202	0.6501
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0089	0.6202	0.6501
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0089	0.6202	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Loa Loa (eye worm)	SRC-1	0.0117	0.954	0.954
Brugia malayi	Protein kinase domain containing protein	0.0117	0.954	0.954
Brugia malayi	hypothetical protein	0.0089	0.6202	0.6202
Echinococcus multilocularis	phosphatidylinositol 3 kinase regulatory subunit	0.0089	0.6202	0.6501
Schistosoma mansoni	growth factor receptor-bound protein	0.0089	0.6202	0.6501
Brugia malayi	Calcitonin receptor-like protein seb-1	0.012	1	1
Schistosoma mansoni	growth factor receptor-bound protein	0.0089	0.6202	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Echinococcus granulosus	tyrosine protein kinase shark	0.0117	0.954	1
Brugia malayi	SH2 domain containing protein	0.0117	0.954	0.954
Schistosoma mansoni	tyrosine kinase	0.0117	0.954	1
Schistosoma mansoni	hypothetical protein	0.0089	0.6202	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0117	0.954	1
Echinococcus granulosus	signal transduction protein lnk realted	0.0089	0.6202	0.6501
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0117	0.954	1
Schistosoma mansoni	tensin-related	0.0089	0.6202	0.6501
Echinococcus multilocularis	SH2 motif	0.0089	0.6202	0.6501
Echinococcus granulosus	expressed conserved protein	0.0089	0.6202	0.6501
Brugia malayi	Protein kinase domain containing protein	0.0117	0.954	0.954
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0117	0.954	1
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0117	0.954	1
Schistosoma mansoni	suppressor of cytokine signaling	0.0089	0.6202	0.6501
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0089	0.6202	0.6501
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0089	0.6202	0.6501
Onchocerca volvulus		0.0117	0.954	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0117	0.954	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0117	0.954	1
Echinococcus granulosus	suppressor of cytokine signaling 7	0.0089	0.6202	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Schistosoma mansoni	tyrosine kinase	0.0117	0.954	1
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0117	0.954	1
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0117	0.954	1
Echinococcus granulosus	SH2 motif	0.0089	0.6202	0.6501
Echinococcus granulosus	tyrosine protein phosphatase non receptor type	0.0089	0.6202	0.6501
Echinococcus multilocularis	tensin	0.0089	0.6202	0.6501
Brugia malayi	Protein kinase domain containing protein	0.0117	0.954	0.954
Echinococcus multilocularis	suppressor of cytokine signaling 7	0.0089	0.6202	0.6501
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0089	0.6202	0.6202
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Loa Loa (eye worm)	TK/FER protein kinase	0.0117	0.954	0.954
Schistosoma mansoni	suppressor of cytokine signaling	0.0089	0.6202	0.6501
Loa Loa (eye worm)	TK/FER protein kinase	0.0117	0.954	0.954
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0117	0.954	1
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0089	0.6202	0.6202
Echinococcus multilocularis	NCK adaptor protein	0.0089	0.6202	0.6501
Echinococcus multilocularis	SH2 motif	0.0089	0.6202	0.6501
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0089	0.6202	0.6202
Echinococcus granulosus	SH2 motif	0.0089	0.6202	0.6501
Loa Loa (eye worm)	TK/FER protein kinase	0.0117	0.954	0.954
Echinococcus granulosus	tyrosine kinase	0.0117	0.954	1
Echinococcus granulosus	tensin C1 domain containing phosphatase	0.0089	0.6202	0.6501
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0117	0.954	1
Echinococcus multilocularis	tyrosine protein kinase shark	0.0117	0.954	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0117	0.954	0.954
Echinococcus multilocularis	tensin	0.0089	0.6202	0.6501
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0117	0.954	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Brugia malayi	SH2 domain containing protein	0.0089	0.6202	0.6202
Schistosoma mansoni	adapter molecule crk	0.0089	0.6202	0.6501
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0089	0.6202	0.6501
Schistosoma mansoni	vav2	0.0089	0.6202	0.6501
Echinococcus granulosus	suppressor of cytokine signaling 6	0.0089	0.6202	0.6501
Echinococcus granulosus	SHC transforming protein 3	0.0089	0.6202	0.6501
Echinococcus multilocularis		0.0089	0.6202	0.6501
Schistosoma mansoni	hypothetical protein	0.0089	0.6202	0.6501
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0089	0.6202	0.6202
Echinococcus multilocularis	signal transduction protein lnk realted	0.0089	0.6202	0.6501
Echinococcus granulosus	hypothetical protein	0.0089	0.6202	0.6501
Echinococcus granulosus	tyrosine protein kinase Blk	0.0117	0.954	1
Echinococcus granulosus	c src tyrosine kinase	0.0117	0.954	1
Schistosoma mansoni	nck2/grb4	0.0089	0.6202	0.6501
Brugia malayi	Sex muscle abnormal protein 5	0.0089	0.6202	0.6202
Echinococcus multilocularis	guanine nucleotide exchange factor VAV2	0.0089	0.6202	0.6501
Loa Loa (eye worm)	SH2 domain-containing protein	0.0089	0.6202	0.6202
Loa Loa (eye worm)	TK/FER protein kinase	0.0117	0.954	0.954
Brugia malayi	Protein kinase domain containing protein	0.0117	0.954	0.954
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0117	0.954	1
Echinococcus granulosus	N chimaerin	0.0089	0.6202	0.6501
Schistosoma mansoni	tyrosine kinase	0.0117	0.954	1
Brugia malayi	cytokine inducible SH2-containing protein 5	0.0089	0.6202	0.6202
Brugia malayi	SRC-1	0.0117	0.954	0.954
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0089	0.6202	0.6202
Brugia malayi	Protein kinase domain containing protein	0.0117	0.954	0.954
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0117	0.954	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Brugia malayi	RhoGAP domain containing protein	0.0089	0.6202	0.6202
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0117	0.954	1
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0117	0.954	1
Schistosoma mansoni	tyrosine kinase	0.0117	0.954	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.012	1	1
Schistosoma mansoni	tensin	0.0089	0.6202	0.6501
Echinococcus granulosus	tensin	0.0089	0.6202	0.6501
Schistosoma mansoni	tensin	0.0089	0.6202	0.6501
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0117	0.954	1
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0089	0.6202	0.6501
Loa Loa (eye worm)	TK/FER protein kinase	0.0117	0.954	0.954
Echinococcus multilocularis	SH2 domain containing protein 7	0.0089	0.6202	0.6501
Brugia malayi	SH2 domain containing protein	0.0089	0.6202	0.6202
Loa Loa (eye worm)	SH2 domain-containing protein	0.0089	0.6202	0.6202
Onchocerca volvulus		0.0117	0.954	1
Brugia malayi	Variant SH3 domain containing protein	0.0089	0.6202	0.6202
Loa Loa (eye worm)	STAT protein	0.0089	0.6202	0.6202
Onchocerca volvulus		0.0117	0.954	1
Brugia malayi	SH2 domain containing protein	0.0089	0.6202	0.6202
Brugia malayi	Tensin	0.0089	0.6202	0.6202
Schistosoma mansoni	shc transforming protein	0.0089	0.6202	0.6501
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0117	0.954	1
Brugia malayi	SH2 domain containing protein	0.0089	0.6202	0.6202
Brugia malayi	SH2 domain containing protein	0.0089	0.6202	0.6202
Echinococcus multilocularis	suppressor of cytokine signaling 6	0.0089	0.6202	0.6501
Brugia malayi	SH2 domain containing protein	0.0089	0.6202	0.6202
Echinococcus granulosus	tyrosine kinase	0.0117	0.954	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0117	0.954	0.954
Schistosoma mansoni	signal transduction protein lnk-related	0.0089	0.6202	0.6501
Echinococcus granulosus	tyrosine protein kinase Srms	0.0117	0.954	1
Echinococcus multilocularis	N chimaerin	0.0089	0.6202	0.6501
Brugia malayi	SH2 domain containing protein	0.0117	0.954	0.954
Brugia malayi	tRNA modification GTPase TrmE family protein	0.0089	0.6202	0.6202
Onchocerca volvulus		0.0117	0.954	1
Echinococcus multilocularis	c src tyrosine kinase	0.0117	0.954	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0117	0.954	0.954
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0089	0.6202	0.6202
Schistosoma mansoni	tensin-related	0.0089	0.6202	0.6501
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0089	0.6202	0.6202
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Echinococcus multilocularis	SH2 motif	0.0089	0.6202	0.6501
Echinococcus granulosus	guanine nucleotide exchange factor VAV2	0.0089	0.6202	0.6501
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0117	0.954	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0117	0.954	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0117	0.954	1
Schistosoma mansoni	tyrosine kinase	0.0117	0.954	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0117	0.954	1
Onchocerca volvulus		0.0117	0.954	1
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0117	0.954	1
Schistosoma mansoni	hypothetical protein	0.0082	0.5371	0.563
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0117	0.954	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0082	0.5371	0.5371
Loa Loa (eye worm)	hypothetical protein	0.0117	0.954	0.954
Loa Loa (eye worm)	TK protein kinase	0.0117	0.954	0.954
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0117	0.954	1
Brugia malayi	protein-tyrosine kinase	0.0117	0.954	0.954
Echinococcus multilocularis	tyrosine protein phosphatase non receptor type	0.0089	0.6202	0.6501
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0089	0.6202	0.6202
Brugia malayi	hypothetical protein	0.0117	0.954	0.954
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0089	0.6202	0.6501
Brugia malayi	Tyrosine-protein kinase abl-1	0.0117	0.954	0.954
Brugia malayi	Variant SH3 domain containing protein	0.0089	0.6202	0.6202
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0089	0.6202	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Echinococcus multilocularis	tyrosine kinase	0.0117	0.954	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0117	0.954	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0117	0.954	0.954
Brugia malayi	SH2 domain containing protein	0.0089	0.6202	0.6202
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0117	0.954	1
Echinococcus multilocularis	SHC transforming protein 3	0.0089	0.6202	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0089	0.6202	0.6202
Echinococcus granulosus	NCK adaptor protein	0.0089	0.6202	0.6501
Schistosoma mansoni	GTPase activating protein	0.0089	0.6202	0.6501
Echinococcus granulosus	SH2 domain containing protein 7	0.0089	0.6202	0.6501
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0089	0.6202	0.6501
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0089	0.6202	0.6501
Loa Loa (eye worm)	TK/ABL protein kinase	0.0117	0.954	0.954
Loa Loa (eye worm)	hypothetical protein	0.012	1	1
Echinococcus granulosus	SH2 domain containing adapter protein F	0.0089	0.6202	0.6501
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0117	0.954	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	11.2202 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	17.7828 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	25.929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL1881041

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 1552547