TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 423.872 | Formula: C21H14ClN3O3S
H donors: 0 H acceptors: 3 LogP: 3.1 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: C#CCn1c(=NC(=O)c2cccc(c2)N2C(=O)CCC2=O)sc2c1ccc(c2)Cl
InChi: 1S/C21H14ClN3O3S/c1-2-10-24-16-7-6-14(22)12-17(16)29-21(24)23-20(28)13-4-3-5-15(11-13)25-18(26)8-9-19(25)27/h1,3-7,11-12H,8-10H2/b23-21-
InChiKey: FYDQKUFVGBYLEA-LNVKXUELSA-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
Trypanosoma cruzi	trypanothione reductase, putative	0.0037	0.2497	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0064	0.5038	1
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0828	1
Treponema pallidum	NADH oxidase	0.0013	0.027	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0828	0.1643
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0828	0.1643
Onchocerca volvulus	Bile acid receptor homolog	0.001	0	0.5
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0828	0.2504
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0013	0.027	0.0537
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0828	0.1643
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0828	0.2504
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0084	0.6861	0.8837
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0288	0.0081
Toxoplasma gondii	thioredoxin reductase	0.0037	0.2497	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Loa Loa (eye worm)	thioredoxin reductase	0.0037	0.2497	0.4956
Onchocerca volvulus		0.001	0	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0064	0.5038	1
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0828	1
Plasmodium falciparum	thioredoxin reductase	0.0037	0.2497	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0828	0.2504
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0828	0.0828
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0828	0.0828
Plasmodium falciparum	glutathione reductase	0.0037	0.2497	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0828	0.2504
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Loa Loa (eye worm)	glutathione reductase	0.0037	0.2497	0.4956
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0828	0.0828
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.5038	0.5038
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0828	0.1643
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Mycobacterium tuberculosis	Probable oxidoreductase	0.0093	0.7728	1
Loa Loa (eye worm)	TAR-binding protein	0.0064	0.5038	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0084	0.6861	0.8837
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0084	0.6861	0.8837
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0828	0.1643
Brugia malayi	RNA binding protein	0.0064	0.5038	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0037	0.2497	0.2985
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0037	0.2542	0.5046
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0013	0.027	0.0537
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.5038	0.5038
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0828	0.2504
Trypanosoma brucei	unspecified product	0.0019	0.0828	0.2504
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0019	0.0828	0.0748
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Brugia malayi	TAR-binding protein	0.0064	0.5038	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0019	0.0828	0.0748
Loa Loa (eye worm)	RNA binding protein	0.0064	0.5038	1
Brugia malayi	glutathione reductase	0.0037	0.2497	0.4956
Echinococcus granulosus	thioredoxin glutathione reductase	0.0037	0.2542	0.5046
Plasmodium vivax	glutathione reductase, putative	0.0037	0.2497	1
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0828	0.1643
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.5038	0.5038
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0828	0.1643
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0828	1
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0828	0.2504
Plasmodium vivax	thioredoxin reductase, putative	0.0037	0.2497	1
Echinococcus granulosus	tar DNA binding protein	0.0064	0.5038	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0	0.5
Trypanosoma brucei	trypanothione reductase	0.0037	0.2497	1
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0093	0.7728	1
Trypanosoma brucei	unspecified product	0.0013	0.0288	0.0081
Brugia malayi	Thioredoxin reductase	0.0037	0.2497	0.4956
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0828	1
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.5038	0.5038
Mycobacterium ulcerans	DNA polymerase IV	0.0019	0.0828	1
Trypanosoma brucei	unspecified product	0.0013	0.0288	0.0081
Mycobacterium tuberculosis	Probable reductase	0.0084	0.6861	0.8837
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0013	0.027	0.027
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0288	0.0081
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0013	0.027	0.0537
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0093	0.7728	1
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0828	0.1643
Mycobacterium tuberculosis	Probable dehydrogenase	0.0084	0.6861	0.8837
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0	0.5
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0093	0.7728	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0828	0.2504
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0828	0.5
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0828	0.1643
Echinococcus multilocularis	tar DNA binding protein	0.0064	0.5038	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0013	0.0288	0.0081
Schistosoma mansoni	tar DNA-binding protein	0.0064	0.5038	0.5038
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0084	0.6861	0.8837
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0013	0.027	0.5
Leishmania major	trypanothione reductase	0.0037	0.2497	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0013	0.027	0.5
Echinococcus granulosus	dna polymerase eta	0.0019	0.0828	0.1643
Leishmania major	DNA polymerase eta, putative	0.0019	0.0828	0.2504
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0013	0.027	0.5

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 612920