TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 436.55 | Formula: C22H20N4O2S2
H donors: 4 H acceptors: 2 LogP: 3.84 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: O=C1Nc2ccc(cc2)NC(=O)Nc2c(SCCSc3c(N1)cccc3)cccc2
InChi: 1S/C22H20N4O2S2/c27-21-23-15-9-11-16(12-10-15)24-22(28)26-18-6-2-4-8-20(18)30-14-13-29-19-7-3-1-5-17(19)25-21/h1-12H,13-14H2,(H2,23,25,27)(H2,24,26,28)
InChiKey: PRTBGBHWYVRNJD-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
Schistosoma mansoni	hypothetical protein	0.0039	0.1839	0.1839
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0131	0.7804	1
Echinococcus granulosus	cytochrome P450 2K1	0.0012	0.0036	0.0137
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0052	0.2643	0.3355
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0967	0.1198
Trypanosoma brucei	unspecified product	0.0014	0.0172	0.0522
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0573	0.2059
Echinococcus multilocularis		0.0012	0.0036	0.0137
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0967	0.3659
Loa Loa (eye worm)	glutathione reductase	0.0052	0.2643	1
Brugia malayi	hypothetical protein	0.0039	0.1839	0.6959
Loa Loa (eye worm)	cytochrome P450 family protein	0.0032	0.1392	0.5269
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0541	0.2046
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0446	0.1573
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.0573	0.2168
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.2342	0.2342
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0967	0.3659
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0118	0.6948	0.8899
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0446	0.1573
Trypanosoma brucei	dihydrolipoamide dehydrogenase, point mutation	0.0018	0.0446	0.1573
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0967	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0573	0.2168
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0967	0.1198
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0018	0.0446	0.1689
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0446	0.1573
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0967	0.3659
Entamoeba histolytica	hypothetical protein	0.0039	0.1839	1
Treponema pallidum	NADH oxidase	0.0018	0.0446	0.5
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0118	0.6948	0.8899
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0967	0.3111
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0573	0.5768
Loa Loa (eye worm)	thioredoxin reductase	0.0052	0.2643	1
Schistosoma mansoni	cytochrome P450	0.0012	0.0036	0.0036
Trypanosoma brucei	unspecified product	0.0014	0.0172	0.0522
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0013	0.0137	0.0519
Echinococcus granulosus	dna polymerase kappa	0.002	0.0573	0.2168
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0446	0.1573
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.2342	0.8864
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0573	0.0573
Leishmania major	cytochrome p450-like protein	0.0021	0.0659	0.2389
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0018	0.0446	0.5
Echinococcus granulosus	thioredoxin glutathione reductase	0.0052	0.2643	1
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0018	0.0446	0.5
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0967	0.357
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0021	0.0659	0.6692
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0446	0.1573
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0118	0.6948	0.8899
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.002	0.0573	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Brugia malayi	Cytochrome P450 family protein	0.0021	0.0659	0.2494
Brugia malayi	Thioredoxin reductase	0.0052	0.2643	1
Leishmania major	DNA polymerase eta, putative	0.002	0.0573	0.2059
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0541	0.065
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0018	0.0446	0.4406
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Trypanosoma brucei	trypanothione reductase	0.0052	0.2643	1
Trypanosoma cruzi	DNA polymerase eta, putative	0.002	0.0573	0.2059
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0018	0.0446	0.1573
Echinococcus multilocularis	dna polymerase eta	0.002	0.0573	0.2168
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.1839	0.6959
Trichomonas vaginalis	DNA polymerase eta, putative	0.002	0.0573	1
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0967	1
Leishmania major	trypanothione reductase	0.0052	0.2643	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0967	0.1198
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0541	0.5422
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0541	0.043
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0967	1
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0967	0.3659
Mycobacterium tuberculosis	Conserved hypothetical protein	0.002	0.0573	0.0691
Trypanosoma cruzi	trypanothione reductase, putative	0.0052	0.2643	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0118	0.6948	0.8899
Plasmodium falciparum	glutathione reductase	0.0052	0.2643	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0018	0.0446	0.1573
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0052	0.2643	1
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0131	0.7804	1
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0018	0.0446	0.1573
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.2342	0.8864
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0967	1
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0573	0.2168
Onchocerca volvulus		0.0026	0.0967	1
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0018	0.0446	0.4406
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Plasmodium vivax	glutathione reductase, putative	0.0052	0.2643	1
Brugia malayi	cytochrome P450	0.0012	0.0036	0.0137
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0018	0.0446	0.1573
Giardia lamblia	DINP protein human, muc B family	0.002	0.0573	1
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0967	0.3659
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0018	0.0446	0.0528
Loa Loa (eye worm)	cytochrome P450	0.0012	0.0036	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0541	0.2046
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0967	1
Brugia malayi	glutathione reductase	0.0052	0.2643	1
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0018	0.0446	0.1573
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.1839	0.1839
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0018	0.0446	0.1573
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0967	0.3111
Trypanosoma brucei	unspecified product	0.002	0.0573	0.2059
Mycobacterium tuberculosis	Probable reductase	0.0118	0.6948	0.8899
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0131	0.7804	1
Schistosoma mansoni	hypothetical protein	0.0012	0.0036	0.0036
Trypanosoma brucei	dihydrolipoyl dehydrogenase	0.0018	0.0446	0.1573
Echinococcus multilocularis	dna polymerase kappa	0.002	0.0573	0.2168
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.002	0.0573	0.0691
Echinococcus granulosus	dna polymerase eta	0.002	0.0573	0.2168
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0018	0.0446	0.1689
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0172	0.0522
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0967	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0541	0.2046
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.2342	0.8864
Trypanosoma brucei	dihydrolipoamide dehydrogenase	0.0018	0.0446	0.1573
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0018	0.0446	0.1573
Schistosoma mansoni	DNA polymerase eta	0.002	0.0573	0.0573
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0573	0.2059
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.0573	0.2168
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0573	0.0573
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0573	0.2059
Entamoeba histolytica	hypothetical protein	0.0039	0.1839	1
Toxoplasma gondii	thioredoxin reductase	0.0052	0.2643	1
Mycobacterium tuberculosis	Probable oxidoreductase	0.0131	0.7804	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.2342	0.2342
Brugia malayi	Cytochrome P450 family protein	0.0021	0.0659	0.2494
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.2342	0.2342
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0118	0.6948	0.8899
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Loa Loa (eye worm)	cytochrome P450 family protein	0.0021	0.0659	0.2494
Trypanosoma cruzi	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0018	0.0446	0.1573
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.2342	0.8864
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0472	0.0561
Loa Loa (eye worm)	CYP4Cod1	0.0021	0.0659	0.2494
Toxoplasma gondii	NADPH-glutathione reductase	0.0018	0.0446	0.1573
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0013	0.0137	0.0519
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0036	0.0137
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0967	1
Leishmania major	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Entamoeba histolytica	hypothetical protein	0.0039	0.1839	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0472	0.0561
Mycobacterium ulcerans	DNA polymerase IV	0.002	0.0573	0.5768
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.2342	0.8864
Plasmodium falciparum	thioredoxin reductase	0.0052	0.2643	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0472	0.0561
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0172	0.0522
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0967	0.3111
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0018	0.0446	0.4406
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0541	0.2046
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0472	0.0561
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0018	0.0446	0.0446
Brugia malayi	Cytochrome P450 family protein	0.0032	0.1392	0.5269
Trypanosoma cruzi	cytochrome P450, putative	0.0021	0.0659	0.2389
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0118	0.6948	0.8899
Trypanosoma cruzi	trypanothione reductase, putative	0.0018	0.0446	0.1573
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.1839	0.6959
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0573	0.2168
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0541	0.2046
Toxoplasma gondii	pyruvate dehydrogenase complex subunit PDH-E3II	0.0018	0.0446	0.1573
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0541	0.043
Entamoeba histolytica	hypothetical protein	0.0039	0.1839	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0018	0.0446	0.1689
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0967	0.357
Trypanosoma brucei	DNA polymerase kappa, putative	0.0014	0.0172	0.0522
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.2342	0.8864
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0573	0.2059
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0967	1
Trypanosoma cruzi	cytochrome P450, putative	0.0021	0.0659	0.2389
Plasmodium vivax	thioredoxin reductase, putative	0.0052	0.2643	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0967	0.357
Trypanosoma brucei	cytochrome P450, putative	0.0021	0.0659	0.2389
Trypanosoma brucei	DNA polymerase eta, putative	0.002	0.0573	0.2059
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.002	0.0573	0.2059
Loa Loa (eye worm)	cytochrome P450 family protein	0.0021	0.0659	0.2494
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0967	0.1198
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0967	0.3659
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0541	1
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0573	0.2168

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

ChEMBL: CHEMBL519963

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1019625