TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 292.38 | Formula: C12H12N4OS2
H donors: 0 H acceptors: 2 LogP: 2.64 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CC(n1ncn(c1=O)c1scc(n1)c1cscc1)C
InChi: 1S/C12H12N4OS2/c1-8(2)16-12(17)15(7-13-16)11-14-10(6-19-11)9-3-4-18-5-9/h3-8H,1-2H3
InChiKey: FQYOSVOVELXNFR-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	jmjC domain containing protein	0.0035	0.0099	0.0148
Schistosoma mansoni	lipoxygenase	0.0117	0.1349	0.1343
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.068	0.9906	0.9906
Plasmodium vivax	thioredoxin reductase, putative	0.0038	0.0137	1
Brugia malayi	DnaJ domain containing protein	0.0061	0.0491	0.0776
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0086	0.087	0.8468
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0124	0.0118
Loa Loa (eye worm)	hypothetical protein	0.044	0.6263	0.632
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.0563	1
Schistosoma mansoni	hypothetical protein	0.0061	0.0491	0.0486
Echinococcus multilocularis	Bcl 2 ous antagonist:killer	0.0082	0.0817	0.0812
Schistosoma mansoni	hypothetical protein	0.0036	0.0111	0.0105
Onchocerca volvulus		0.044	0.6263	1
Loa Loa (eye worm)	hypothetical protein	0.044	0.6263	0.632
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0017	0.0221
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0017	0.0011
Plasmodium falciparum	glutathione reductase	0.0038	0.0137	1
Trypanosoma brucei	trypanothione reductase	0.0038	0.0137	0.0307
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0111	0.0111
Echinococcus granulosus	inositol monophosphatase 1	0.0037	0.0124	0.0124
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.0483	0.0478
Echinococcus multilocularis	inositol monophosphatase 1	0.0037	0.0124	0.0118
Giardia lamblia	PHD finger protein 15	0.0029	0.0006	0.5
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0017	0.0011
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0483	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0095	0.1016	1
Loa Loa (eye worm)	hypothetical protein	0.0151	0.1857	0.1869
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0017	0.0011
Echinococcus granulosus	EGFP:Bcl2 fusion protein	0.0082	0.0817	0.0817
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0111	0.0105
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.0563	1
Loa Loa (eye worm)	hypothetical protein	0.003	0.0017	0.0011
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0099	0.0093
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0017	0.0011
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0099	0.0099
Echinococcus granulosus	dnaJ subfamily C 6	0.0061	0.0491	0.0491
Loa Loa (eye worm)	glutathione reductase	0.0038	0.0137	0.0132
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0095	0.1009	0.1009
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.0066	0.0563	0.0891
Echinococcus multilocularis	microtubule associated protein 2	0.0686	1	1
Loa Loa (eye worm)	apoptosis regulator protein	0.0082	0.0817	0.082
Echinococcus granulosus	transcription factor Dp 1	0.0038	0.0143	0.0143
Loa Loa (eye worm)	hypothetical protein	0.068	0.9906	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.068	0.9906	0.9906
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0099	0.0094
Schistosoma mansoni	jumonji domain containing protein	0.0075	0.0712	0.0707
Brugia malayi	Thioredoxin reductase	0.0038	0.0137	0.021
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0037	0.0124	0.5
Plasmodium falciparum	thioredoxin reductase	0.0038	0.0137	1
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.0066	0.0563	0.0558
Schistosoma mansoni	hypothetical protein	0.0082	0.0817	0.0812
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0179	0.0173
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0117	0.1349	0.1349
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0207	0.2712	0.2734
Echinococcus multilocularis	Protein lozenge	0.0055	0.0405	0.04
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0817	0.082
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0483	0.0478
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0037	0.0124	0.2465
Mycobacterium tuberculosis	Probable oxidoreductase	0.0095	0.1016	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0095	0.1016	1
Brugia malayi	hypothetical protein	0.0036	0.0111	0.0167
Echinococcus granulosus	Bcl 2 ous antagonist:killer	0.0082	0.0817	0.0817
Echinococcus granulosus	peregrin	0.0029	0.0006	0.0006
Onchocerca volvulus		0.003	0.0017	0.0017
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0111	0.0105
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.0066	0.0563	0.0563
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.0066	0.0563	1
Brugia malayi	Pre-SET motif family protein	0.003	0.0017	0.0017
Schistosoma mansoni	bcl-2 homologous antagonist/killer (bak)	0.0082	0.0817	0.0812
Echinococcus granulosus	thioredoxin glutathione reductase	0.0038	0.0145	0.0145
Mycobacterium tuberculosis	Probable dehydrogenase	0.0086	0.087	0.8468
Schistosoma mansoni	microtubule-associated protein tau	0.0686	1	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0095	0.1016	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0086	0.087	0.8468
Leishmania major	trypanothione reductase	0.0038	0.0137	0.0307
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0179	0.0179
Onchocerca volvulus		0.0151	0.1857	0.2958
Brugia malayi	hypothetical protein	0.044	0.6263	1
Schistosoma mansoni	hormone-sensitive lipase (S09 family)	0.068	0.9906	0.9906
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.0066	0.0563	0.0563
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0099	0.0093
Schistosoma mansoni	lipoxygenase	0.0082	0.0812	0.0806
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0038	0.0145	0.0139
Brugia malayi	Apoptosis regulator proteins, Bcl-2 family protein	0.0082	0.0817	0.1297
Schistosoma mansoni	inositol monophosphatase	0.0037	0.0124	0.0118
Brugia malayi	hypothetical protein	0.0151	0.1857	0.2958
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0095	0.1009	0.1004
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.0066	0.0563	1
Trichomonas vaginalis	protein kinase inhibitor, putative	0.0061	0.0491	0.1216
Loa Loa (eye worm)	hypothetical protein	0.005	0.0321	0.0318
Loa Loa (eye worm)	thioredoxin reductase	0.0038	0.0137	0.0132
Plasmodium vivax	SET domain protein, putative	0.003	0.0017	0.0804
Trypanosoma cruzi	trypanothione reductase, putative	0.0038	0.0137	0.0307
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0086	0.087	0.8468
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0483	1
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0038	0.0137	0.0758
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.0066	0.0563	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0017	0.0017
Schistosoma mansoni	apoptosis regulator bax	0.0082	0.0817	0.0812
Trichomonas vaginalis	set domain proteins, putative	0.0235	0.3147	1
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.0066	0.0563	0.0558
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0086	0.087	0.8468
Echinococcus multilocularis	hormone sensitive lipase	0.068	0.9906	0.9906
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0099	0.0093
Echinococcus granulosus	PHD finger protein rhinoceros	0.0029	0.0006	0.0006
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.0483	0.0478
Loa Loa (eye worm)	inositol-1	0.0037	0.0124	0.0119
Echinococcus multilocularis	transcription factor Dp 1	0.0038	0.0143	0.0137
Brugia malayi	Inositol-1	0.0037	0.0124	0.0188
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0086	0.087	0.8468
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.0483	0.818
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0117	0.1349	0.1343
Loa Loa (eye worm)	runx1	0.0055	0.0405	0.0403
Echinococcus multilocularis	EGFP:Bcl2 fusion protein	0.0082	0.0817	0.0812
Onchocerca volvulus		0.0235	0.3147	0.502
Echinococcus granulosus	hormone sensitive lipase	0.068	0.9906	0.9906
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.0483	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0017	0.0011
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.0483	1
Loa Loa (eye worm)	DnaJ domain-containing protein	0.0061	0.0491	0.049
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.0483	0.0483
Echinococcus multilocularis	dnaJ subfamily C 6	0.0061	0.0491	0.0486
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.0483	0.44
Plasmodium vivax	glutathione reductase, putative	0.0038	0.0137	1
Brugia malayi	Pre-SET motif family protein	0.0207	0.2712	0.4325
Brugia malayi	glutathione reductase	0.0038	0.0137	0.021
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0475	0.0474
Brugia malayi	jmjC domain containing protein	0.0095	0.1009	0.1603
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0017	0.0011
Toxoplasma gondii	thioredoxin reductase	0.0038	0.0137	0.2748
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0037	0.0124	0.0286
Schistosoma mansoni	hypothetical protein	0.0082	0.0817	0.0812
Mycobacterium tuberculosis	Probable reductase	0.0086	0.087	0.8468
Schistosoma mansoni	lozenge	0.0055	0.0405	0.04
Schistosoma mansoni	hypothetical protein	0.0082	0.0817	0.0812

Activities

Activity type	Activity value	Assay description	Source	Reference
IZ (functional)	= 22 mm	Antibacterial activity against Escherichia coli at 100 ug/ml after 24 hrs by disc diffusion method	ChEMBL.	21920741
IZ (functional)	= 22 mm	Antifungal activity against Candida albicans at 100 ug/ml after 48 hrs by disc diffusion method	ChEMBL.	21920741
IZ (functional)	= 24 mm	Antibacterial activity against Escherichia coli at 200 ug/ml after 24 hrs by disc diffusion method	ChEMBL.	21920741
IZ (functional)	= 24 mm	Antifungal activity against Candida albicans at 200 ug/ml after 48 hrs by disc diffusion method	ChEMBL.	21920741

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

ChEMBL: CHEMBL1914510

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1639776