TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 496.39 | Formula: C19H15Cl2N5O3S2
H donors: 0 H acceptors: 3 LogP: 3.97 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N=c2snc(n2C(=N)C1=Cc1cc(n(c1C)c1cccc(c1Cl)Cl)C)S(=O)(=O)C
InChi: 1S/C19H15Cl2N5O3S2/c1-9-7-11(10(2)25(9)14-6-4-5-13(20)15(14)21)8-12-16(22)26-18(23-17(12)27)30-24-19(26)31(3,28)29/h4-8,22H,1-3H3/b12-8-,22-16?
InChiKey: AQPJRGZPOSYNNG-YTDNRYEMSA-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
Echinococcus granulosus	tumor protein p63	0.0383	0.742	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0151	0.2552	0.4513
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0048	0.0393	0.0304
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.043	0.043
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0252	0.0252
Schistosoma mansoni	hypothetical protein	0.0169	0.2923	0.5198
Loa Loa (eye worm)	thioredoxin reductase	0.0048	0.0393	0.0393
Schistosoma mansoni	hypothetical protein	0.0293	0.5531	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0041	0.0252	0.0252
Echinococcus multilocularis	polycomb protein SCMH1	0.0048	0.0401	0.0208
Entamoeba histolytica	hypothetical protein	0.0042	0.0276	0.5
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.0541	0.0403
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.0101	0.0101
Mycobacterium leprae	PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA	0.0167	0.288	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0109	0.1678	0.3072
Brugia malayi	beta-lactamase	0.0041	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0252	0.0252
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0151	0.2552	0.4513
Loa Loa (eye worm)	glutathione reductase	0.0048	0.0393	0.0393
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0151	0.2552	0.3208
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0048	0.0393	0.0197
Onchocerca volvulus		0.0048	0.0401	0.4741
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0048	0.0401	0.0552
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.0541	0.0403
Schistosoma mansoni	cellular tumor antigen P53	0.0056	0.0566	0.0856
Brugia malayi	glutathione reductase	0.0048	0.0393	0.0393
Echinococcus multilocularis	tumor protein p63	0.0383	0.742	1
Leishmania major	trypanothione reductase	0.0048	0.0393	1
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0401	0.0401
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0276	0.0322
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0048	0.0401	0.0208
Entamoeba histolytica	hypothetical protein	0.0042	0.0276	0.5
Echinococcus granulosus	thioredoxin glutathione reductase	0.0048	0.0393	0.0197
Mycobacterium ulcerans	adenosylmethionine-8-amino-7-oxononanoate aminotransferase	0.0167	0.288	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0109	0.1678	0.3072
Trypanosoma cruzi	trypanothione reductase, putative	0.0048	0.0393	1
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0252	0.0252
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0151	0.2552	0.4513
Schistosoma mansoni	hypothetical protein	0.0169	0.2923	0.5198
Plasmodium falciparum	glutathione reductase	0.0048	0.0393	1
Entamoeba histolytica	hypothetical protein	0.0042	0.0276	0.5
Schistosoma mansoni	hypothetical protein	0.0042	0.0276	0.0322
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0263	0.4893	1
Mycobacterium tuberculosis	Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA	0.0167	0.288	0.5661
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0401	0.0552
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0109	0.1678	0.3072
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.019	0.3371	0.4352
Onchocerca volvulus		0.0056	0.0566	1
Mycobacterium tuberculosis	Probable reductase	0.0109	0.1678	0.3072
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0541	0.0541
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0041	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0056	0.0566	0.0566
Brugia malayi	Thioredoxin reductase	0.0048	0.0393	0.0393
Trypanosoma brucei	trypanothione reductase	0.0048	0.0393	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.0541	0.0403
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0151	0.2552	0.3208
Toxoplasma gondii	thioredoxin reductase	0.0048	0.0393	1
Brugia malayi	beta-lactamase family protein	0.0041	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0252	0.0252
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0151	0.2552	0.3208
Mycobacterium tuberculosis	Probable dehydrogenase	0.0109	0.1678	0.3072
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0276	0.0033
Loa Loa (eye worm)	beta-lactamase	0.0041	0.0252	0.0252
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0252	0.0278
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0121	0.1933	0.3622
Echinococcus granulosus	geminin	0.0169	0.2923	0.3727
Brugia malayi	Cytochrome P450 family protein	0.0054	0.052	0.052
Leishmania major	hypothetical protein, conserved	0.0041	0.0252	0.6408
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0041	0.0252	0.0278
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0151	0.2552	0.3208
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0252	0.0252
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0252	0.0252
Echinococcus granulosus	SAM and MBT domain containing protein	0.0048	0.0401	0.0208
Echinococcus multilocularis	geminin	0.0169	0.2923	0.3727
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0101	0.0101
Brugia malayi	mbt repeat family protein	0.0048	0.0401	0.0401
Plasmodium vivax	hypothetical protein, conserved	0.0041	0.0252	0.6408
Loa Loa (eye worm)	hypothetical protein	0.005	0.043	0.043
Mycobacterium ulcerans	hypothetical protein	0.0167	0.288	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0151	0.2552	0.2552
Trypanosoma brucei	hypothetical protein, conserved	0.0041	0.0252	0.6408
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0252	0.6408
Echinococcus granulosus	polycomb protein SCMH1	0.0048	0.0401	0.0208
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0252	0.6408
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0121	0.1933	0.6397
Entamoeba histolytica	hypothetical protein	0.0042	0.0276	0.5
Mycobacterium tuberculosis	Probable oxidoreductase	0.0121	0.1933	0.3622
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0276	0.0033
Mycobacterium tuberculosis	Probable aminotransferase	0.0167	0.288	0.5661
Brugia malayi	beta-lactamase family protein	0.0041	0.0252	0.0252
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0121	0.1933	0.3622
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.0541	0.0403
Plasmodium vivax	thioredoxin reductase, putative	0.0048	0.0393	1
Brugia malayi	hypothetical protein	0.0042	0.0276	0.0276
Trichomonas vaginalis	acetylornithine aminotransferase, putative	0.0167	0.288	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0109	0.1678	0.5426
Toxoplasma gondii	ABC1 family protein	0.0041	0.0252	0.6408
Brugia malayi	mbt repeat family protein	0.0048	0.0401	0.0401
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.019	0.3371	0.4352
Loa Loa (eye worm)	MBCTL1	0.0055	0.0541	0.0541
Plasmodium falciparum	thioredoxin reductase	0.0048	0.0393	1
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.0541	0.0541
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0151	0.2552	0.2552
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0109	0.1678	0.3072
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.043	0.043
Loa Loa (eye worm)	mbt repeat family protein	0.0048	0.0401	0.0401
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.0541	0.0809
Loa Loa (eye worm)	cytochrome P450 family protein	0.0054	0.052	0.052
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.043	0.043
Plasmodium vivax	glutathione reductase, putative	0.0048	0.0393	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0507	1	1
Schistosoma mansoni	sex comb on midleg homolog	0.0048	0.0401	0.0552
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0048	0.0401	0.4741

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 789029