TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 407.413 | Formula: C18H16F3N5OS
H donors: 2 H acceptors: 3 LogP: 4.53 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCN(c1ccccc1)c1nnc(s1)NC(=O)Nc1ccccc1C(F)(F)F
InChi: 1S/C18H16F3N5OS/c1-2-26(12-8-4-3-5-9-12)17-25-24-16(28-17)23-15(27)22-14-11-7-6-10-13(14)18(19,20)21/h3-11H,2H2,1H3,(H2,22,23,24,27)
InChiKey: XHFPDRPQRVBTMW-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
Brugia malayi	Calcium binding EGF domain containing protein	0.0392	0.1699	0.1442
Schistosoma mansoni	cercarial elastase (S01 family)	0.0368	0.1545	0.1873
Schistosoma mansoni	dihydrofolate reductase	0.0218	0.0597	0.0724
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0392	0.1699	0.0716
Echinococcus multilocularis	transmembrane protease serine 3	0.0368	0.1545	0.2185
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Onchocerca volvulus		0.0392	0.1699	0.0716
Loa Loa (eye worm)	bone morphogenetic protein 1b	0.0825	0.4436	0.5019
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0904	0.4936	0.5987
Echinococcus granulosus	enteropeptidase	0.0904	0.4936	1
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Toxoplasma gondii	kringle domain-containing protein	0.0871	0.4726	0.4011
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1194	0.0781
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0392	0.1699	0.1442
Schistosoma mansoni	cercarial elastase (S01 family)	0.0368	0.1545	0.1873
Schistosoma mansoni	slit	0.0392	0.1699	0.2061
Mycobacterium ulcerans	thymidylate synthase	0.0534	0.2598	1
Toxoplasma gondii	PAN domain-containing protein	0.1705	1	1
Onchocerca volvulus		0.0368	0.1545	0.0497
Loa Loa (eye worm)	notch protein	0.0392	0.1699	0.1442
Toxoplasma gondii	EGF family domain-containing protein	0.0392	0.1699	0.0574
Onchocerca volvulus		0.0534	0.2598	0.199
Schistosoma mansoni	notch	0.0392	0.1699	0.2061
Loa Loa (eye worm)	hypothetical protein	0.1427	0.8245	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0392	0.1699	0.2541
Schistosoma mansoni	cercarial elastase (S01 family)	0.0368	0.1545	0.1873
Schistosoma mansoni	notch	0.0392	0.1699	0.2061
Brugia malayi	Calcium binding EGF domain containing protein	0.0392	0.1699	0.1442
Schistosoma mansoni	notch	0.0392	0.1699	0.2061
Echinococcus multilocularis	neurogenic locus notch protein	0.0392	0.1699	0.2541
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0368	0.1545	0.2185
Echinococcus granulosus	tissue type plasminogen activator	0.0871	0.4726	0.9516
Onchocerca volvulus	Slit protein homolog	0.0392	0.1699	0.0716
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1545	0.1239
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Brugia malayi	thymidylate synthase	0.0534	0.2598	0.2616
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1427	0.8245	1
Schistosoma mansoni	hypothetical protein	0.0368	0.1545	0.1873
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0368	0.1545	0.1873
Brugia malayi	Cadherin domain containing protein	0.0392	0.1699	0.1442
Leishmania major	hypothetical protein, conserved	0.0871	0.4726	1
Brugia malayi	PAN domain containing protein	0.0312	0.1194	0.0781
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Brugia malayi	PAN domain containing protein	0.0312	0.1194	0.0781
Trichomonas vaginalis	conserved hypothetical protein	0.0254	0.0826	0.5
Brugia malayi	EGF-like domain containing protein	0.0392	0.1699	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1194	0.0781
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1194	0.0781
Brugia malayi	PAN domain containing protein	0.0312	0.1194	0.0781
Schistosoma mansoni	hypothetical protein	0.0392	0.1699	0.2061
Loa Loa (eye worm)	thymidylate synthase	0.0534	0.2598	0.2616
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1194	0.0781
Brugia malayi	Trypsin family protein	0.0368	0.1545	0.1239
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0825	0.4436	0.3681
Loa Loa (eye worm)	TK/ROR protein kinase	0.0871	0.4726	0.5399
Schistosoma mansoni	hypothetical protein	0.0368	0.1545	0.1873
Brugia malayi	Low-density lipoprotein receptor repeat class B containing protein	0.0825	0.4436	0.5019
Echinococcus granulosus	protein jagged 1	0.0392	0.1699	0.2541
Echinococcus multilocularis	neurogenic locus protein delta	0.0392	0.1699	0.2541
Echinococcus granulosus	glycoprotein Antigen 5	0.0904	0.4936	1
Brugia malayi	PAN domain containing protein	0.0312	0.1194	0.0781
Loa Loa (eye worm)	PAN domain-containing protein	0.0312	0.1194	0.0781
Brugia malayi	hypothetical protein	0.0368	0.1545	0.1239
Schistosoma mansoni	laminin gamma-3 chain	0.0392	0.1699	0.2061
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1545	0.1239
Brugia malayi	Fibulin-1 precursor	0.0825	0.4436	0.5019
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Onchocerca volvulus	Putative cubilin	0.0392	0.1699	0.0716
Echinococcus multilocularis	protein jagged 2	0.0392	0.1699	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0825	0.4436	0.5019
Plasmodium falciparum	cysteine repeat modular protein 1	0.0871	0.4726	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0368	0.1545	0.1873
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Brugia malayi	PAN domain containing protein	0.0312	0.1194	0.0781
Loa Loa (eye worm)	PAN domain-containing protein	0.0312	0.1194	0.0781
Loa Loa (eye worm)	PAN domain-containing protein	0.0312	0.1194	0.0781
Echinococcus granulosus	Mastin	0.0904	0.4936	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0368	0.1545	0.1873
Brugia malayi	EGF-like domain containing protein	0.0392	0.1699	0.1442
Echinococcus granulosus	delta-like protein 1	0.0392	0.1699	0.2541
Schistosoma mansoni	cercarial elastase (S01 family)	0.0368	0.1545	0.1873
Schistosoma mansoni	cercarial elastase (S01 family)	0.0368	0.1545	0.1873
Brugia malayi	Protein kinase domain containing protein	0.0871	0.4726	0.5399
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.0534	0.2598	1
Echinococcus multilocularis	neural cadherin	0.0392	0.1699	0.2541
Schistosoma mansoni	hypothetical protein	0.0392	0.1699	0.2061
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Loa Loa (eye worm)	Notch2	0.0392	0.1699	0.1442
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0368	0.1545	0.2185
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Brugia malayi	EGF-like domain containing protein	0.0392	0.1699	0.1442
Echinococcus granulosus	thymidylate synthase	0.0534	0.2598	0.4611
Loa Loa (eye worm)	hypothetical protein	0.0825	0.4436	0.5019
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0368	0.1545	0.1873
Echinococcus granulosus	slit 2 protein	0.0392	0.1699	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1194	0.0781
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1545	0.1239
Schistosoma mansoni	hypothetical protein	0.0392	0.1699	0.2061
Schistosoma mansoni	subfamily M12A unassigned peptidase (M12 family)	0.0825	0.4436	0.538
Echinococcus multilocularis	protein jagged 1	0.0392	0.1699	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1194	0.0781
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0368	0.1545	0.1239
Brugia malayi	Muscle positioning protein 4	0.0392	0.1699	0.1442
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0368	0.1545	0.2185
Onchocerca volvulus		0.1427	0.8245	1
Brugia malayi	notch-like transmembrane receptor	0.0392	0.1699	0.1442
Brugia malayi	Calcium binding EGF domain containing protein	0.0825	0.4436	0.5019
Brugia malayi	hypothetical protein	0.0254	0.0826	0.03
Schistosoma mansoni	septate junction protein	0.0392	0.1699	0.2061
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0752	0.3975	0.8075
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0392	0.1699	0.2541
Echinococcus multilocularis	enteropeptidase	0.0904	0.4936	1
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Brugia malayi	Calcium binding EGF domain containing protein	0.0392	0.1699	0.1442
Echinococcus granulosus	laminin	0.0825	0.4436	0.8847
Echinococcus multilocularis	slit 2 protein	0.0392	0.1699	0.2541
Onchocerca volvulus		0.0392	0.1699	0.0716
Brugia malayi	EGF-like domain containing protein	0.0392	0.1699	0.1442
Brugia malayi	PAN domain containing protein	0.0312	0.1194	0.0781
Brugia malayi	PAN domain containing protein	0.0312	0.1194	0.0781
Onchocerca volvulus		0.0392	0.1699	0.0716
Brugia malayi	PAN domain containing protein	0.0312	0.1194	0.0781
Schistosoma mansoni	egf-like domain protein	0.0825	0.4436	0.538
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0392	0.1699	0.2061
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0368	0.1545	0.2185
Loa Loa (eye worm)	hypothetical protein	0.0825	0.4436	0.5019
Schistosoma mansoni	cercarial elastase (S01 family)	0.0368	0.1545	0.1873
Loa Loa (eye worm)	PAN domain-containing protein	0.0312	0.1194	0.0781
Brugia malayi	PAN domain containing protein	0.0312	0.1194	0.0781
Brugia malayi	EGF-like domain containing protein	0.0392	0.1699	0.1442
Brugia malayi	Trypsin family protein	0.1427	0.8245	1
Brugia malayi	PAN domain containing protein	0.0312	0.1194	0.0781
Onchocerca volvulus	Neurogenic locus notch homolog	0.0392	0.1699	0.0716
Echinococcus granulosus	neurogenic locus notch protein	0.0392	0.1699	0.2541
Echinococcus multilocularis	fibrillin 1	0.0825	0.4436	0.8847
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.1427	0.8245	1
Brugia malayi	EGF-like domain containing protein	0.0392	0.1699	0.1442
Onchocerca volvulus		0.0392	0.1699	0.0716
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0752	0.3975	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0871	0.4726	1
Onchocerca volvulus		0.0368	0.1545	0.0497
Schistosoma mansoni	notch	0.0392	0.1699	0.2061
Giardia lamblia	High cysteine protein	0.0392	0.1699	0.5
Loa Loa (eye worm)	hypothetical protein	0.0312	0.1194	0.0781
Toxoplasma gondii	calcium binding egf domain-containing protein	0.0825	0.4436	0.3681
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Echinococcus granulosus	protein jagged 1	0.0392	0.1699	0.2541
Onchocerca volvulus		0.0871	0.4726	0.5009
Echinococcus multilocularis	protein jagged 1	0.0392	0.1699	0.2541
Brugia malayi	Trypsin-like protease protein 5	0.0368	0.1545	0.1239
Echinococcus multilocularis	thymidylate synthase	0.0534	0.2598	0.4611
Brugia malayi	Trypsin family protein	0.0368	0.1545	0.1239
Brugia malayi	EGF-like domain containing protein	0.0392	0.1699	0.1442
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0392	0.1699	0.2541
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0871	0.4726	1
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Mycobacterium ulcerans	hypothetical protein	0.0368	0.1545	0.4737
Loa Loa (eye worm)	low-density lipoprotein receptor repeat class B containing protein	0.0825	0.4436	0.5019
Schistosoma mansoni	notch	0.0392	0.1699	0.2061
Echinococcus multilocularis	tissue type plasminogen activator	0.0871	0.4726	0.9516
Brugia malayi	Trypsin family protein	0.0368	0.1545	0.1239
Chlamydia trachomatis	dihydrofolate reductase	0.0218	0.0597	0.5
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0534	0.2598	1
Echinococcus granulosus	neurogenic locus notch protein 4	0.0392	0.1699	0.2541
Echinococcus granulosus	neurogenic locus notch protein	0.0392	0.1699	0.2541
Echinococcus multilocularis	Mastin	0.0904	0.4936	1
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1545	0.1239
Echinococcus granulosus	notch	0.0392	0.1699	0.2541
Loa Loa (eye worm)	multiple epidermal growth factor-like domains 6	0.0825	0.4436	0.5019
Echinococcus granulosus	transmembrane protease serine 3	0.0368	0.1545	0.2185
Brugia malayi	GCC2 and GCC3 family protein	0.0392	0.1699	0.1442
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Echinococcus granulosus	Tolloid protein 1	0.0825	0.4436	0.8847
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Schistosoma mansoni	cercarial elastase (S01 family)	0.0368	0.1545	0.1873
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0368	0.1545	0.1873
Echinococcus multilocularis	laminin	0.0825	0.4436	0.8847
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0368	0.1545	0.1873
Echinococcus granulosus	protein jagged 2	0.0392	0.1699	0.2541
Schistosoma mansoni	hypothetical protein	0.0392	0.1699	0.2061
Schistosoma mansoni	cercarial elastase (S01 family)	0.0368	0.1545	0.1873
Onchocerca volvulus		0.1059	0.5919	0.6701
Schistosoma mansoni	cercarial elastase (S01 family)	0.0368	0.1545	0.1873
Onchocerca volvulus		0.0368	0.1545	0.0497
Echinococcus granulosus	fibropellin Ia	0.0392	0.1699	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Loa Loa (eye worm)	hypothetical protein	0.1427	0.8245	1
Schistosoma mansoni	cell polarity protein	0.0392	0.1699	0.2061
Schistosoma mansoni	hypothetical protein	0.0871	0.4726	0.5732
Onchocerca volvulus		0.0368	0.1545	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0825	0.4436	0.5019
Echinococcus granulosus	protein jagged 2	0.0392	0.1699	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0368	0.1545	0.1239
Echinococcus granulosus	neural cadherin	0.0392	0.1699	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0825	0.4436	0.5019
Loa Loa (eye worm)	trypsin family protein	0.0368	0.1545	0.1239
Brugia malayi	Cadherin domain containing protein	0.0392	0.1699	0.1442
Loa Loa (eye worm)	PAN domain-containing protein	0.0312	0.1194	0.0781
Schistosoma mansoni	hypothetical protein	0.0392	0.1699	0.2061
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0752	0.3975	0.3158
Echinococcus granulosus	neurogenic locus protein delta	0.0392	0.1699	0.2541
Echinococcus multilocularis	glycoprotein Antigen 5	0.0904	0.4936	1
Echinococcus multilocularis	fibropellin Ia	0.0392	0.1699	0.2541
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Schistosoma mansoni	hypothetical protein	0.0392	0.1699	0.2061
Schistosoma mansoni	hypothetical protein	0.0392	0.1699	0.2061
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Brugia malayi	Kringle domain containing protein	0.0871	0.4726	0.5399
Onchocerca volvulus		0.0392	0.1699	0.0716
Brugia malayi	Delta serrate ligand family protein	0.0392	0.1699	0.1442
Schistosoma mansoni	notch	0.0392	0.1699	0.2061
Echinococcus multilocularis	neurogenic locus notch protein	0.0392	0.1699	0.2541
Onchocerca volvulus	Arrow homolog	0.0825	0.4436	0.4597
Echinococcus multilocularis	Tolloid protein 1	0.0825	0.4436	0.8847
Mycobacterium tuberculosis	Hypothetical protein	0.0254	0.0826	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442
Echinococcus multilocularis	notch	0.0392	0.1699	0.2541
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0534	0.2598	0.3151
Onchocerca volvulus		0.0368	0.1545	0.0497
Schistosoma mansoni	cercarial elastase (S01 family)	0.0368	0.1545	0.1873
Loa Loa (eye worm)	hypothetical protein	0.0871	0.4726	0.5399
Loa Loa (eye worm)	hypothetical protein	0.0392	0.1699	0.1442

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 847498