TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 357.445 | Formula: C19H20FN3OS
H donors: 3 H acceptors: 0 LogP: 3.9 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc2c(c1)c(CCNC(=S)Nc1cccc(c1)F)c([nH]2)C
InChi: 1S/C19H20FN3OS/c1-12-16(17-11-15(24-2)6-7-18(17)22-12)8-9-21-19(25)23-14-5-3-4-13(20)10-14/h3-7,10-11,22H,8-9H2,1-2H3,(H2,21,23,25)
InChiKey: TYGPLNKXSNCVKM-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
Mycobacterium leprae	PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE)	0.066	0.7363	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0026	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0026	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1046	0.1421
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0061	0.0314	0.0879
Onchocerca volvulus	Huntingtin homolog	0.0123	0.1046	0.139
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0039	0.0039
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0586	0.6498	0.8821
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0039	0.0053
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0026	0.0036
Brugia malayi	hypothetical protein	0.0314	0.3294	0.4474
Brugia malayi	hypothetical protein	0.0036	0.0026	0.0035
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Toxoplasma gondii	hypothetical protein	0.0049	0.0176	0.015
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0043	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0026	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0171	0.0232
Mycobacterium tuberculosis	Conserved hypothetical protein	0.016	0.1478	0.2007
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0143	0.1287	0.1287
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0026	0.0034
Brugia malayi	hypothetical protein	0.0152	0.1384	0.1879
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Onchocerca volvulus	Huntingtin homolog	0.0123	0.1046	0.139
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Echinococcus granulosus	dna polymerase kappa	0.0061	0.0314	0.0405
Brugia malayi	hypothetical protein	0.0237	0.239	0.3246
Echinococcus granulosus	thymidylate synthase	0.066	0.7363	0.9515
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0026	0.0036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0037	0.0039	0.0039
Schistosoma mansoni	dihydrofolate reductase	0.0586	0.6498	0.8397
Schistosoma mansoni	hypothetical protein	0.0036	0.0026	0.0034
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0303	0.3163	0.3163
Trypanosoma brucei	DNA polymerase IV, putative	0.0061	0.0314	0.0314
Echinococcus multilocularis	survival motor neuron protein 1	0.0237	0.239	0.3088
Schistosoma mansoni	microtubule-associated protein tau	0.0692	0.7739	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0884	1	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0061	0.0314	0.0879
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0026	0.0036
Echinococcus multilocularis	dihydrofolate reductase	0.0586	0.6498	0.8397
Loa Loa (eye worm)	hypothetical protein	0.0123	0.1046	0.1421
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0231	0.2314	0.3143
Echinococcus multilocularis	microtubule associated protein 2	0.0692	0.7739	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0026	1
Schistosoma mansoni	hypothetical protein	0.0048	0.017	0.022
Trypanosoma brucei	DNA polymerase IV, putative	0.0061	0.0314	0.0314
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0026	0.0034
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0586	0.6498	0.8821
Trichomonas vaginalis	conserved hypothetical protein	0.0314	0.3294	1
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0303	0.3163	0.3163
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.066	0.7363	0.9515
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0026	0.0034
Brugia malayi	MH2 domain containing protein	0.012	0.1009	0.1371
Trypanosoma brucei	unspecified product	0.0054	0.0236	0.0236
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0026	0.0034
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.0171	0.0232
Brugia malayi	polk-prov protein	0.0037	0.0039	0.0053
Echinococcus granulosus	dihydrofolate reductase	0.0586	0.6498	0.8397
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0043	0.0103	0.0103
Echinococcus granulosus	survival motor neuron protein 1	0.0237	0.239	0.3088
Brugia malayi	beta-lactamase family protein	0.0036	0.0026	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1384	0.1879
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0026	0.0026
Leishmania major	hypothetical protein, conserved	0.0036	0.0026	0.0026
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0026	0.0036
Onchocerca volvulus		0.0152	0.1384	0.185
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0026	0.0026
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0103	0.0103
Schistosoma mansoni	survival motor neuron protein	0.0048	0.017	0.022
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0026	0.0036
Echinococcus granulosus	microtubule associated protein 2	0.0692	0.7739	1
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.004	0.0078	0.0106
Mycobacterium tuberculosis	Hypothetical protein	0.0314	0.3294	0.4474
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0026	0.0036
Trypanosoma brucei	DNA polymerase IV, putative	0.0054	0.0236	0.0236
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0303	0.3163	0.3163
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0143	0.1287	0.1287
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0026	0.0026
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0026	0.0036
Onchocerca volvulus		0.066	0.7363	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.0171	0.0232
Brugia malayi	hypothetical protein	0.0123	0.1046	0.1421
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0026	0.0034
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0884	1	1
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.066	0.7363	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Echinococcus multilocularis	thymidylate synthase	0.066	0.7363	0.9515
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0026	0.0034
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0143	0.1287	0.1287
Trypanosoma brucei	DNA polymerase kappa, putative	0.004	0.0078	0.0078
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0026	0.0036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Leishmania major	mitochondrial DNA polymerase beta	0.0303	0.3163	0.3163
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.0212	0.0212
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0026	0.0034
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0026	0.0036
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0026	0.0036
Mycobacterium ulcerans	DNA polymerase IV	0.0061	0.0314	0.0391
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Brugia malayi	Dihydrofolate reductase	0.0586	0.6498	0.8826
Giardia lamblia	DINP protein human, muc B family	0.004	0.0078	0.5
Brugia malayi	dihydrofolate reductase family protein	0.0586	0.6498	0.8826
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0026	0.0036
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0026	0.0036
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.0171	0.0232
Loa Loa (eye worm)	dihydrofolate reductase	0.0586	0.6498	0.8826
Mycobacterium ulcerans	DNA polymerase IV	0.0061	0.0314	0.0391
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0884	1	1
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0043	0.0103	0.0103
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0026	0.0036
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase, putative	0.0314	0.3294	0.3294
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0586	0.6498	0.8826
Mycobacterium ulcerans	hypothetical protein	0.016	0.1478	0.1978
Mycobacterium ulcerans	thymidylate synthase	0.066	0.7363	1
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0026	0.0036
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.1009	0.1371
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0026	0.0036
Chlamydia trachomatis	dihydrofolate reductase	0.0586	0.6498	0.5
Brugia malayi	beta-lactamase family protein	0.0036	0.0026	0.0036
Echinococcus multilocularis	dna polymerase kappa	0.0061	0.0314	0.0405
Entamoeba histolytica	hypothetical protein	0.0036	0.0026	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0061	0.0314	0.0314
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.017	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0237	0.239	0.3246
Onchocerca volvulus		0.0048	0.017	0.0197
Brugia malayi	thymidylate synthase	0.066	0.7363	1
Loa Loa (eye worm)	thymidylate synthase	0.066	0.7363	1
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0884	1	1
Entamoeba histolytica	hypothetical protein	0.0036	0.0026	1
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.1009	0.1371
Leishmania major	DNA polymerase kappa, putative	0.004	0.0078	0.0078
Brugia malayi	beta-lactamase	0.0036	0.0026	0.0036
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0026	0.0036
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0884	1	0.5
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.004	0.0078	0.0078
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0026	0.0036

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 841417