TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 382.436 | Formula: C19H18N4O3S
H donors: 3 H acceptors: 3 LogP: 2.63 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccccc1NC(=O)Cc1csc(n1)NC(=O)Nc1ccccc1
InChi: 1S/C19H18N4O3S/c1-26-16-10-6-5-9-15(16)22-17(24)11-14-12-27-19(21-14)23-18(25)20-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,22,24)(H2,20,21,23,25)
InChiKey: BAMHEMFZLFAXTN-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	family S9 non-peptidase homologue (S09 family)	0.1535	1	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0018	0.0057	0.0056
Mycobacterium tuberculosis	Probable reductase	0.0091	0.0533	0.3139
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0233	0.0233
Onchocerca volvulus		0.0259	0.1638	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0233	0.0233
Echinococcus granulosus	acetylcholinesterase	0.1535	1	1
Trypanosoma cruzi	trypanothione reductase, putative	0.0014	0.0028	0.0018
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0101	0.06	0.5757
Plasmodium vivax	glutathione reductase, putative	0.004	0.0199	1
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0196	0.0195
Leishmania major	trypanothione reductase	0.004	0.0199	0.2368
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0014	0.0028	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0124	0.075	0.388
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0117	0.5242
Onchocerca volvulus		0.0259	0.1638	1
Loa Loa (eye worm)	hypothetical protein	0.0259	0.1638	0.1637
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0124	0.075	0.0749
Schistosoma mansoni	hypothetical protein	0.0445	0.2856	0.2843
Brugia malayi	Carboxylesterase family protein	0.1535	1	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0316	0.0315
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.2157	1
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0014	0.0028	0.0018
Brugia malayi	Thioredoxin reductase	0.004	0.0199	0.0199
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0014	0.0028	0.0027
Brugia malayi	latrophilin 2 splice variant baaae	0.0039	0.0196	0.0196
Echinococcus granulosus	para nitrobenzyl esterase	0.0259	0.1638	0.1637
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0014	0.0028	0.0018
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.001	0.0004	0.0004
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0142	0.0142
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0259	0.1638	0.7562
Schistosoma mansoni	hypothetical protein	0.0018	0.0057	0.0039
Giardia lamblia	Fructose-bisphosphate aldolase	0.0339	0.2157	1
Loa Loa (eye worm)	glutaminase	0.0298	0.1888	0.1887
Leishmania major	2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein	0.0014	0.0028	0.0004
Loa Loa (eye worm)	carboxylesterase	0.0259	0.1638	0.1637
Schistosoma mansoni	cpg binding protein	0.0031	0.0142	0.0124
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0058	0.0316	0.0315
Echinococcus multilocularis	carboxylesterase 5A	0.1535	1	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0014	0.0028	0.0018
Trypanosoma cruzi	dihydrolipoyl dehydrogenase, putative	0.0014	0.0028	0.0018
Schistosoma mansoni	cpg binding protein	0.0033	0.0154	0.0136
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0124	0.075	0.388
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0018	0.0057	0.0056
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0339	0.2157	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0124	0.075	0.388
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0014	0.0028	0.0018
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0058	0.0316	0.0316
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0259	0.1638	0.1623
Echinococcus multilocularis	acetylcholinesterase	0.1535	1	1
Trichomonas vaginalis	glutathione reductase, putative	0.0014	0.0028	0.0001
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0091	0.0533	0.3139
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0018	0.0057	0.0056
Plasmodium falciparum	glutathione reductase	0.004	0.0199	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.2157	1
Echinococcus granulosus	single minded 2	0.0039	0.0194	0.0194
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.0372	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0028	0.0027
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.004	0.0199	0.106
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0142	0.0142
Plasmodium vivax	ataxin-2 like protein, putative	0.0027	0.0117	0.5233
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0014	0.0028	0.0004
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.2157	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0259	0.1638	1
Loa Loa (eye worm)	hypothetical protein	0.0178	0.1102	0.1101
Brugia malayi	hypoxia-induced factor 1	0.0164	0.1012	0.1012
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0233	0.0233
Brugia malayi	PAS domain containing protein	0.0053	0.0285	0.0285
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0165	0.1021	0.6172
Toxoplasma gondii	LsmAD domain-containing protein	0.0027	0.0117	0.1238
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0014	0.0028	0.0027
Toxoplasma gondii	thioredoxin reductase	0.004	0.0199	0.2365
Loa Loa (eye worm)	hypothetical protein	0.0259	0.1638	0.1637
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0259	0.1638	0.1637
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0233	0.0216
Trichomonas vaginalis	spcc417.12 protein, putative	0.0259	0.1638	0.7562
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0101	0.06	0.3552
Loa Loa (eye worm)	glutaminase 2	0.0298	0.1888	0.1887
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.2157	1
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0014	0.0028	0.0027
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.001	0.0004	0.0004
Echinococcus multilocularis	para nitrobenzyl esterase	0.0259	0.1638	0.1637
Loa Loa (eye worm)	hypothetical protein	0.1535	1	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0018	0.0017
Schistosoma mansoni	hypothetical protein	0.0018	0.0057	0.0039
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0233	0.0233
Echinococcus granulosus	GPCR family 2	0.0018	0.0057	0.0056
Echinococcus multilocularis	acetylcholinesterase	0.1535	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0233	0.0216
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0233	0.0216
Loa Loa (eye worm)	hypothetical protein	0.0259	0.1638	0.1637
Brugia malayi	hypothetical protein	0.0259	0.1638	0.1638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0124	0.075	0.0749
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.094	0.6095	0.6094
Brugia malayi	hypothetical protein	0.0018	0.0054	0.0054
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0165	0.1021	0.5342
Mycobacterium ulcerans	putative regulatory protein	0.0039	0.0194	0.0894
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0259	0.1638	1
Loa Loa (eye worm)	hypothetical protein	0.0259	0.1638	0.1637
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0014	0.0028	0.0027
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0117	0.5233
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0014	0.0028	0.0027
Leishmania major	dihydrolipoamide dehydrogenase, putative	0.0014	0.0028	0.0004
Mycobacterium tuberculosis	Probable dehydrogenase	0.0091	0.0533	0.3139
Brugia malayi	glutaminase DH11.1	0.0298	0.1888	0.1888
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0117	0.5233
Brugia malayi	bHLH-PAS transcription factor	0.0039	0.0194	0.0194
Echinococcus granulosus	carboxylesterase 5A	0.1535	1	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0124	0.075	1
Leishmania major	hypothetical protein, conserved	0.0027	0.0117	0.1241
Schistosoma mansoni	single-minded	0.0053	0.0285	0.0267
Trypanosoma brucei	trypanothione reductase	0.004	0.0199	1
Loa Loa (eye worm)	hypothetical protein	0.0259	0.1638	0.1637
Schistosoma mansoni	aryl hydrocarbon receptor	0.0053	0.0285	0.0267
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0101	0.06	0.3552
Echinococcus multilocularis	transfer RNA-Lys	0.0039	0.0194	0.0194
Mycobacterium tuberculosis	Probable oxidoreductase	0.0101	0.06	0.3552
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0018	0.0017
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0259	0.1638	0.1623
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0018	0.0057	0.0057
Loa Loa (eye worm)	carboxylesterase	0.0259	0.1638	0.1637
Loa Loa (eye worm)	thioredoxin reductase	0.004	0.0199	0.0198
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0014	0.0028	0.001
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0165	0.1021	1
Brugia malayi	Latrophilin receptor protein 2	0.0018	0.0057	0.0057
Echinococcus multilocularis	neuroligin	0.0259	0.1638	0.1637
Onchocerca volvulus		0.0039	0.0194	0.1035
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0124	0.075	1
Schistosoma mansoni	hypothetical protein	0.0018	0.0057	0.0039
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.2157	1
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0091	0.0533	0.3139
Echinococcus granulosus	cpg binding protein	0.0033	0.0154	0.0153
Echinococcus multilocularis	GPCR, family 2	0.0018	0.0057	0.0056
Schistosoma mansoni	glutaminase	0.0298	0.1888	0.1873
Echinococcus granulosus	dnaJ subfamily B	0.0445	0.2856	0.2855
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0233	0.0233
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0014	0.0028	0.0028
Schistosoma mansoni	acetylcholinesterase	0.0259	0.1638	0.1623
Brugia malayi	glutathione reductase	0.004	0.0199	0.0199
Schistosoma mansoni	aldehyde dehydrogenase	0.0124	0.075	0.0733
Loa Loa (eye worm)	hypothetical protein	0.1535	1	1
Loa Loa (eye worm)	hypothetical protein	0.0259	0.1638	0.1637
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0339	0.2157	0.5
Brugia malayi	Carboxylesterase family protein	0.0259	0.1638	0.1638
Loa Loa (eye worm)	glutathione reductase	0.004	0.0199	0.0198
Schistosoma mansoni	hypothetical protein	0.0018	0.0057	0.0039
Trichomonas vaginalis	glutaminase, putative	0.0298	0.1888	0.8737
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0058	0.0316	0.0316
Onchocerca volvulus		0.0259	0.1638	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.2157	1
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0014	0.0028	0.0018
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0117	0.5242
Brugia malayi	hypothetical protein	0.0027	0.0117	0.0117
Echinococcus granulosus	acetylcholinesterase	0.1535	1	1
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0014	0.0028	0.0027
Echinococcus granulosus	aryl hydrocarbon receptor	0.0014	0.0028	0.0027
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0117	0.5233
Brugia malayi	hypothetical protein	0.0178	0.1102	0.1102
Brugia malayi	Carboxylesterase family protein	0.0259	0.1638	0.1638
Loa Loa (eye worm)	carboxylesterase	0.1535	1	1
Plasmodium vivax	thioredoxin reductase, putative	0.004	0.0199	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0339	0.2157	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0018	0.0057	0.0056
Mycobacterium ulcerans	glutaminase	0.0298	0.1888	1
Loa Loa (eye worm)	hypothetical protein	0.0259	0.1638	0.1637
Leishmania major	acetoin dehydrogenase e3 component-like protein	0.0014	0.0028	0.0004
Brugia malayi	Carboxylesterase family protein	0.0259	0.1638	0.1638
Onchocerca volvulus		0.0259	0.1638	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0259	0.1638	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0259	0.1638	0.1637
Schistosoma mansoni	cpg binding protein	0.0033	0.0154	0.0136
Onchocerca volvulus		0.0031	0.0142	0.0712
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0014	0.0028	0.5
Loa Loa (eye worm)	acetylcholinesterase 1	0.1535	1	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0259	0.1638	0.1637
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0057	0.0056
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0091	0.0533	0.3139
Trypanosoma cruzi	trypanothione reductase, putative	0.004	0.0199	1
Brugia malayi	Carboxylesterase family protein	0.0259	0.1638	0.1638
Echinococcus granulosus	BC026374 protein S09 family	0.0259	0.1638	0.1637
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0018	0.0057	0.0056
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0014	0.0028	0.0018
Schistosoma mansoni	BC026374 protein (S09 family)	0.0259	0.1638	0.1623
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0164	0.1012	0.1011
Mycobacterium ulcerans	carboxylesterase, LipT	0.0259	0.1638	0.8655
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0117	0.0116
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.2157	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.004	0.0202	0.0201
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.0326	0.4125
Schistosoma mansoni	aldehyde dehydrogenase	0.0124	0.075	0.0733
Plasmodium falciparum	thioredoxin reductase	0.004	0.0199	1
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0124	0.075	0.4483
Echinococcus multilocularis	thioredoxin glutathione reductase	0.004	0.0202	0.0201
Schistosoma mansoni	gliotactin	0.0259	0.1638	0.1623
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0259	0.1638	0.1623
Onchocerca volvulus		0.0259	0.1638	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0091	0.0533	0.3139
Echinococcus granulosus	neuroligin	0.0259	0.1638	0.1637
Trichomonas vaginalis	mercuric reductase, putative	0.0014	0.0028	0.0001
Chlamydia trachomatis	dihydrolipoyl dehydrogenase	0.0014	0.0028	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0339	0.2157	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0091	0.0533	0.5088
Schistosoma mansoni	hypothetical protein	0.0039	0.0196	0.0178
Trypanosoma cruzi	dihydrolipoamide dehydrogenase, putative	0.0014	0.0028	0.0018
Echinococcus multilocularis	cpg binding protein	0.0033	0.0154	0.0153
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0259	0.1638	0.1623
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0233	0.0233
Echinococcus multilocularis	dnaJ subfamily B	0.0445	0.2856	0.2855

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 680580