TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 446.513 | Formula: C27H27FN2O3
H donors: 0 H acceptors: 2 LogP: 4.2 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)C=CC(=O)N(Cc1ccc(cc1)OCc1cccnc1)CC1CCCO1
InChi: 1S/C27H27FN2O3/c28-24-6-1-4-21(16-24)10-13-27(31)30(19-26-7-3-15-32-26)18-22-8-11-25(12-9-22)33-20-23-5-2-14-29-17-23/h1-2,4-6,8-14,16-17,26H,3,7,15,18-20H2/b13-10+
InChiKey: BRWBPWAQLVRBDU-JLHYYAGUSA-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
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0168	0.1361	0.1457
Schistosoma mansoni	ephrin receptor	0.0243	0.2501	0.287
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Echinococcus multilocularis	anosmin 1	0.0168	0.1361	0.1344
Brugia malayi	Fibronectin type III domain containing protein	0.0168	0.1361	0.1596
Loa Loa (eye worm)	TK/ROR protein kinase	0.012	0.0621	0.058
Echinococcus granulosus	Immunoglobulin	0.0407	0.4988	0.4893
Loa Loa (eye worm)	myotactin form A	0.0168	0.1361	0.1567
Echinococcus multilocularis	Receptor type tyrosine protein phosphatase O	0.0168	0.1361	0.1344
Onchocerca volvulus		0.0168	0.1361	0.6263
Loa Loa (eye worm)	hypothetical protein	0.0407	0.4992	0.6407
Echinococcus granulosus	neuroglian	0.0259	0.2744	0.2607
Loa Loa (eye worm)	hypothetical protein	0.0575	0.7546	0.9813
Schistosoma mansoni	nephrin	0.062	0.8225	0.9968
Echinococcus granulosus	roundabout 2	0.0259	0.2744	0.2607
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0168	0.1361	0.1596
Echinococcus granulosus	roundabout 2	0.0666	0.8929	0.8909
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0213	0.204	0.2519
Onchocerca volvulus		0.0168	0.1361	0.6263
Echinococcus granulosus	EG95	0.0168	0.1361	0.1197
Brugia malayi	Fibronectin type III domain containing protein	0.0575	0.7546	1
Echinococcus granulosus	anosmin 1	0.0168	0.1361	0.1197
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Onchocerca volvulus		0.0168	0.1361	0.6263
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Schistosoma mansoni	cell adhesion molecule	0.0259	0.2744	0.3172
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0407	0.4988	0.5955
Echinococcus multilocularis	receptor type tyrosine protein phosphatase zeta	0.0168	0.1361	0.1344
Loa Loa (eye worm)	hypothetical protein	0.0575	0.7546	0.9813
Schistosoma mansoni	cell adhesion molecule	0.0259	0.2744	0.3172
Brugia malayi	Protein-tyrosine phosphatase	0.0168	0.1361	0.1596
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0213	0.204	0.2471
Brugia malayi	protein unc-22	0.0214	0.2062	0.2549
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Echinococcus multilocularis	usherin	0.0168	0.1361	0.1344
Echinococcus granulosus	cell adhesion molecule	0.0168	0.1361	0.1197
Echinococcus multilocularis	neuroglian	0.0452	0.5667	0.6269
Brugia malayi	Peroxidasin	0.0091	0.0189	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0091	0.0189	0.0005
Brugia malayi	Fibronectin type III domain containing protein	0.0168	0.1361	0.1596
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0168	0.1361	0.1567
Echinococcus granulosus	Fibronectin type III	0.0168	0.1361	0.1197
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Echinococcus granulosus	defective proboscis extension response	0.0407	0.4988	0.4893
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0243	0.2501	0.2647
Onchocerca volvulus		0.0168	0.1361	0.6263
Brugia malayi	Protein kinase domain containing protein	0.0192	0.1721	0.2086
Loa Loa (eye worm)	hypothetical protein	0.0453	0.5692	0.7341
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0214	0.2062	0.2549
Schistosoma mansoni	hypothetical protein	0.0213	0.204	0.2299
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0168	0.1361	0.1457
Echinococcus granulosus	receptor type tyrosine protein phosphatase zeta	0.0168	0.1361	0.1197
Schistosoma mansoni	hypothetical protein	0.0168	0.1361	0.1457
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0215	0.2065	0.2506
Echinococcus granulosus	twitchin	0.0453	0.5689	0.5608
Brugia malayi	myotactin form A	0.0168	0.1361	0.1596
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0168	0.1361	0.1197
Schistosoma mansoni	serine/threonine protein kinase	0.0214	0.2062	0.2326
Schistosoma mansoni	vesicular amine transporter	0.0407	0.4988	0.5955
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0168	0.1361	0.1457
Echinococcus granulosus	titin	0.0214	0.2062	0.1912
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0259	0.2744	0.3172
Echinococcus multilocularis	Immunoglobulin	0.0407	0.4988	0.5492
Onchocerca volvulus		0.0214	0.2062	1
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0168	0.1361	0.1567
Entamoeba histolytica	protein kinase domain containing protein	0.0079	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0168	0.1361	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0528	0.6832	0.903
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0168	0.1361	0.1596
Loa Loa (eye worm)	projectin	0.0213	0.204	0.2471
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Echinococcus multilocularis	fibronectin type III domain-containing protein	0.0168	0.1361	0.1344
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0453	0.5692	0.5611
Schistosoma mansoni	tripartite motif protein trim9	0.0168	0.1361	0.1457
Schistosoma mansoni	neuroglian	0.0259	0.2744	0.3172
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0213	0.204	0.2519
Entamoeba histolytica	tyrosin kinase, putative	0.0079	0	0.5
Brugia malayi	myotactin form B	0.0168	0.1361	0.1596
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Schistosoma mansoni	tyrosine kinase	0.0166	0.1326	0.1413
Echinococcus multilocularis	Netrin receptor DCC	0.0168	0.1361	0.1344
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0214	0.2062	0.2501
Echinococcus granulosus	Netrin receptor DCC	0.0168	0.1361	0.1197
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0168	0.1361	0.1457
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0259	0.2744	0.2926
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0168	0.1361	0.1567
Loa Loa (eye worm)	hypothetical protein	0.0213	0.204	0.2471
Brugia malayi	Lethal protein 805	0.0168	0.1361	0.1596
Echinococcus multilocularis	tyrosine protein kinase transmembrane receptor	0.012	0.0621	0.0498
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0259	0.2744	0.341
Loa Loa (eye worm)	STE/STE20/SLK protein kinase	0.0192	0.1721	0.2047
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0407	0.4988	0.5955
Schistosoma mansoni	factor for adipocyte differentiation	0.0168	0.1361	0.1457
Schistosoma mansoni	titin	0.0213	0.204	0.2299
Schistosoma mansoni	titin	0.0168	0.1361	0.1457
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0259	0.2744	0.2926
Loa Loa (eye worm)	hypothetical protein	0.0498	0.6371	0.8246
Brugia malayi	hypothetical protein	0.0575	0.7546	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0213	0.204	0.2519
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0259	0.2744	0.2926
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0168	0.1361	0.1197
Loa Loa (eye worm)	UNCoordinated family member	0.0168	0.1361	0.1567
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0213	0.204	0.2519
Schistosoma mansoni	factor for adipocyte differentiation	0.0168	0.1361	0.1457
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Loa Loa (eye worm)	hypothetical protein	0.055	0.7162	0.9301
Echinococcus multilocularis	anosmin 1	0.0168	0.1361	0.1344
Echinococcus multilocularis	roundabout 2	0.0259	0.2744	0.2926
Echinococcus multilocularis	titin	0.0168	0.1361	0.1344
Schistosoma mansoni	cell adhesion molecule	0.0213	0.204	0.2299
Echinococcus granulosus	anosmin 1	0.0168	0.1361	0.1197
Loa Loa (eye worm)	hypothetical protein	0.0575	0.7546	0.9813
Onchocerca volvulus		0.0213	0.204	0.9881
Echinococcus granulosus	roundabout 2	0.0259	0.2744	0.2607
Loa Loa (eye worm)	hypothetical protein	0.0213	0.204	0.2471
Echinococcus granulosus	contactin	0.0259	0.2744	0.2607
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0213	0.204	0.2519
Echinococcus multilocularis	roundabout 2	0.0666	0.8929	1
Echinococcus granulosus	neuroglian	0.0452	0.5667	0.5585
Echinococcus multilocularis	Fibronectin type III domain containing protein	0.0168	0.1361	0.1344
Echinococcus multilocularis	neuroglian	0.0259	0.2744	0.2926
Schistosoma mansoni	titin	0.0214	0.2062	0.2326
Loa Loa (eye worm)	CAMK protein kinase	0.0214	0.2062	0.2501
Onchocerca volvulus		0.0168	0.1361	0.6263
Loa Loa (eye worm)	TK protein kinase	0.012	0.0621	0.058
Echinococcus multilocularis	Phosphotidylinositol phosphatase PTPRQ	0.0168	0.1361	0.1344
Echinococcus granulosus	usherin	0.0168	0.1361	0.1197
Echinococcus granulosus	titin	0.0214	0.2062	0.1912
Onchocerca volvulus		0.0213	0.204	0.9881
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0213	0.204	0.2471
Echinococcus multilocularis	STE20 serine:threonine protein kinase	0.0551	0.7185	0.8005
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0259	0.2744	0.2926
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0261	0.2766	0.344
Echinococcus multilocularis	Netrin receptor DCC	0.0168	0.1361	0.1344
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Brugia malayi	Fibronectin type III domain containing protein	0.0168	0.1361	0.1596
Onchocerca volvulus	Tyrosine kinase homolog	0.012	0.0621	0.232
Echinococcus granulosus	fibronectin type III domain-containing protein	0.0168	0.1361	0.1197
Brugia malayi	Fibronectin type III domain containing protein	0.0168	0.1361	0.1596
Echinococcus granulosus	nephrin	0.0213	0.204	0.1889
Echinococcus granulosus	Netrin receptor DCC	0.0168	0.1361	0.1197
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0215	0.2065	0.2553
Onchocerca volvulus		0.0168	0.1361	0.6263
Echinococcus multilocularis	Fibronectin, type III	0.0168	0.1361	0.1344
Onchocerca volvulus		0.0168	0.1361	0.6263
Onchocerca volvulus		0.0168	0.1361	0.6263
Echinococcus multilocularis	anosmin 1	0.0168	0.1361	0.1344
Loa Loa (eye worm)	lethal protein 805	0.0168	0.1361	0.1567
Loa Loa (eye worm)	hypothetical protein	0.0259	0.2744	0.341
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0528	0.6832	0.886
Leishmania major	hypothetical protein, conserved	0.0168	0.1361	0.5
Echinococcus granulosus	Fibronectin type III domain containing protein	0.0168	0.1361	0.1197
Echinococcus multilocularis	roundabout 2	0.0259	0.2744	0.2926
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0259	0.2744	0.3476
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0168	0.1361	0.1567
Echinococcus multilocularis	cell adhesion molecule	0.0168	0.1361	0.1344
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0168	0.1361	0.5
Onchocerca volvulus		0.0168	0.1361	0.6263
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Loa Loa (eye worm)	hypothetical protein	0.0498	0.6371	0.8246
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0243	0.2501	0.2359
Schistosoma mansoni	protein tyrosine phosphatase	0.0168	0.1361	0.1457
Echinococcus granulosus	STE20 serine:threonine protein kinase	0.0551	0.7185	0.7132
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0407	0.4988	0.5492
Schistosoma mansoni	cell adhesion molecule	0.0621	0.825	1
Echinococcus granulosus	peroxidasin	0.0091	0.0189	0.0004
Echinococcus multilocularis	peroxidasin	0.0091	0.0189	0.0004
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0259	0.2744	0.3476
Schistosoma mansoni	nephrin	0.0259	0.2744	0.3172
Echinococcus granulosus	Phosphotidylinositol phosphatase PTPRQ	0.0168	0.1361	0.1197
Echinococcus multilocularis	transfer RNA-Phe	0.0213	0.204	0.212
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0213	0.204	0.2471
Loa Loa (eye worm)	CAMK/CAMKL/NUAK protein kinase	0.0584	0.7687	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.012	0.0621	0.0591
Echinococcus multilocularis	receptor type tyrosine protein phosphatase protein tyrosine phosphatase receptor type	0.0168	0.1361	0.1344
Echinococcus granulosus	G1Y162 protein	0.0168	0.1361	0.1197
Echinococcus multilocularis	Immunoglobulin	0.0407	0.4988	0.5492
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0213	0.204	0.1889
Brugia malayi	Lethal protein 805	0.0168	0.1361	0.1596
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0168	0.1361	0.1596
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0215	0.2065	0.2149
Brugia malayi	Fibronectin type III domain containing protein	0.0168	0.1361	0.1596
Brugia malayi	SPRY domain containing protein	0.0168	0.1361	0.1596
Trypanosoma brucei	Fibronectin type III domain containing protein, putative	0.0168	0.1361	0.5
Loa Loa (eye worm)	hypothetical protein	0.0407	0.4988	0.6402
Echinococcus granulosus	tyrosine protein kinase transmembrane receptor	0.012	0.0621	0.0444
Schistosoma mansoni	cell adhesion molecule	0.0213	0.204	0.2299
Schistosoma mansoni	myosin-binding protein-related	0.0213	0.204	0.2299
Echinococcus granulosus	anosmin 1	0.0168	0.1361	0.1197
Onchocerca volvulus		0.0168	0.1361	0.6263
Trypanosoma cruzi	hypothetical protein, conserved	0.0168	0.1361	0.5
Loa Loa (eye worm)	hypothetical protein	0.0407	0.4988	0.6402
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0575	0.7546	1
Schistosoma mansoni	factor for adipocyte differentiation	0.0168	0.1361	0.1457
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0259	0.2744	0.2607
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0259	0.2744	0.3476
Echinococcus multilocularis	titin	0.0214	0.2062	0.2146
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0215	0.2065	0.1915
Schistosoma mansoni	protein kinase	0.0192	0.1721	0.1904
Brugia malayi	hypothetical protein	0.0168	0.1361	0.1596
Loa Loa (eye worm)	hypothetical protein	0.0168	0.1361	0.1567
Schistosoma mansoni	hypothetical protein	0.0168	0.1361	0.1457
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0213	0.204	0.2519
Onchocerca volvulus		0.0168	0.1361	0.6263
Schistosoma mansoni	hemicentin	0.0213	0.204	0.2299

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 813428