TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 418.508 | Formula: C24H22N2O3S
H donors: 1 H acceptors: 3 LogP: 3.47 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCNC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)c1c(S2=O)cccc1
InChi: 1S/C24H22N2O3S/c1-2-14-25-23(27)18-12-13-22-20(15-18)26(16-17-8-4-3-5-9-17)24(28)19-10-6-7-11-21(19)30(22)29/h3-13,15H,2,14,16H2,1H3,(H,25,27)
InChiKey: PZZGBTYYUUJVIS-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
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0122	0.0154
Loa Loa (eye worm)	transcription factor SMAD2	0.0075	0.0825	0.1044
Echinococcus multilocularis	chromobox protein 1	0.0016	0.0046	0.0106
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0023	0.0144	0.4385
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0046	0.0058
Brugia malayi	Valyl-tRNA synthetase	0.0016	0.0046	0.0058
Plasmodium vivax	glutathione reductase, putative	0.0028	0.0213	0.0845
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.016	0.194	0.4459
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0046	0.0058
Trypanosoma cruzi	trypanothione reductase, putative	0.0028	0.0213	0.6476
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0046	0.0046
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0037	0.0329	1
Brugia malayi	M-phase phosphoprotein, mpp8	0.0016	0.0046	0.0058
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0046	0.0046
Mycobacterium leprae	conserved hypothetical protein	0.0023	0.0144	0.5
Mycobacterium ulcerans	putative regulatory protein	0.0022	0.0124	0.3776
Toxoplasma gondii	LsmAD domain-containing protein	0.0016	0.0049	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0275	0.3442	0.4357
Trypanosoma cruzi	PAB1-binding protein , putative	0.0016	0.0049	0.1482
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0144	0.3473
Echinococcus granulosus	survival motor neuron protein 1	0.0239	0.2975	0.6838
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0016	0.0046	0.0046
Schistosoma mansoni	hypothetical protein	0.0016	0.0046	0.0082
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0016	0.0046	0.0046
Onchocerca volvulus		0.0049	0.048	0.0436
Brugia malayi	intermediate filament protein	0.0026	0.0183	0.0232
Entamoeba histolytica	hypothetical protein	0.0016	0.0046	0.1397
Loa Loa (eye worm)	glutathione reductase	0.0028	0.0213	0.027
Leishmania major	phosphopantetheinyl transferase-like protein	0.0023	0.0144	0.4385
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0026	0.0183	0.0232
Loa Loa (eye worm)	hypothetical protein	0.0265	0.3317	0.4199
Echinococcus multilocularis	lamin dm0	0.0026	0.0183	0.0421
Brugia malayi	Heterochromatin protein 1	0.0016	0.0046	0.0058
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0046	0.0046
Brugia malayi	Thioredoxin reductase	0.0028	0.0213	0.0269
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0037	0.0329	1
Trichomonas vaginalis	Heterochromatin protein, putative	0.0016	0.0046	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0082	0.0919	0.1163
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0023	0.0144	0.4385
Schistosoma mansoni	lamin	0.0026	0.0183	0.0326
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0046	0.0046
Echinococcus multilocularis	lamin	0.0026	0.0183	0.0421
Brugia malayi	hypothetical protein	0.0239	0.2975	0.3765
Loa Loa (eye worm)	hypothetical protein	0.0166	0.202	0.2557
Schistosoma mansoni	single-minded	0.0029	0.0224	0.0397
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0329	0.0328
Trichomonas vaginalis	hypothetical protein	0.0016	0.0046	0.0046
Brugia malayi	Protein cec-1.	0.0016	0.0046	0.0058
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0016	0.0046	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0046	0.0058
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0016	0.0046	0.0046
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0016	0.0046	0.0046
Entamoeba histolytica	hypothetical protein	0.0023	0.0144	0.4385
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0046	0.0058
Schistosoma mansoni	chromobox protein	0.0016	0.0046	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0046	0.0058
Brugia malayi	hypothetical protein	0.0016	0.0049	0.0062
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0029	0.0218	0.05
Trypanosoma brucei	trypanothione reductase	0.0028	0.0213	0.6476
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0023	0.0144	0.0497
Echinococcus multilocularis	chromodomain helicase DNA binding protein 4	0.0016	0.0046	0.0106
Entamoeba histolytica	hypothetical protein	0.0016	0.0046	0.1397
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0014	0.0024	0.0031
Echinococcus granulosus	intermediate filament protein	0.0026	0.0183	0.0421
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0082	0.0919	0.1634
Schistosoma mansoni	chromobox protein	0.0016	0.0046	0.0082
Brugia malayi	hypothetical protein	0.0016	0.0046	0.0058
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0023	0.0144	0.4385
Schistosoma mansoni	ap endonuclease	0.0037	0.0329	0.0584
Loa Loa (eye worm)	hypothetical protein	0.0239	0.2975	0.3765
Loa Loa (eye worm)	helicase	0.0016	0.0046	0.0058
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0046	0.0046
Brugia malayi	Type III restriction enzyme, res subunit family protein	0.0016	0.0046	0.0058
Brugia malayi	hypothetical protein	0.0098	0.1124	0.1423
Trichomonas vaginalis	chromobox protein, putative	0.0016	0.0046	0.0046
Trypanosoma brucei	hypothetical protein, conserved	0.0023	0.0144	0.4385
Trypanosoma brucei	PAB1-binding protein , putative	0.0016	0.0049	0.1482
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0037	0.0329	1
Brugia malayi	PAS domain containing protein	0.0029	0.0224	0.0283
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0016	0.0046	0.0082
Echinococcus multilocularis	chromobox protein 2	0.0016	0.0046	0.0106
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0023	0.0144	0.0497
Onchocerca volvulus		0.0016	0.0046	0.00000004842
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0082	0.0919	0.2112
Plasmodium falciparum	glutathione reductase	0.0028	0.0213	0.5903
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0016	0.0046	0.0046
Echinococcus multilocularis	cytoplasmic intermediate filament protein	0.0013	0.0006	0.0014
Trichomonas vaginalis	chromobox protein, putative	0.0016	0.0046	0.0046
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0037	0.0329	0.0416
Schistosoma mansoni	aryl hydrocarbon receptor	0.0029	0.0224	0.0397
Trichomonas vaginalis	chromobox protein, putative	0.0016	0.0046	0.0046
Schistosoma mansoni	ap endonuclease	0.0037	0.0329	0.0584
Echinococcus multilocularis	musashi	0.0026	0.0183	0.0421
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0016	0.0046	0.0046
Schistosoma mansoni	hypothetical protein	0.0344	0.435	0.7739
Brugia malayi	Pre-SET motif family protein	0.0166	0.202	0.2557
Brugia malayi	Intermediate filament tail domain containing protein	0.0026	0.0183	0.0232
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0016	0.0046	0.0046
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0037	0.0329	1
Schistosoma mansoni	chromobox protein	0.0016	0.0046	0.0082
Plasmodium falciparum	ataxin-2 like protein, putative	0.0016	0.0049	0.0099
Echinococcus granulosus	chromodomain helicase DNA binding protein 4	0.0016	0.0046	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0183	0.0232
Leishmania major	hypothetical protein, conserved	0.0016	0.0049	0.1482
Plasmodium falciparum	thioredoxin reductase	0.0028	0.0213	0.5903
Schistosoma mansoni	lamin	0.0026	0.0183	0.0326
Loa Loa (eye worm)	MH2 domain-containing protein	0.0075	0.0825	0.1044
Echinococcus granulosus	thioredoxin glutathione reductase	0.0029	0.0218	0.05
Trichomonas vaginalis	chromobox protein, putative	0.0016	0.0046	0.0046
Echinococcus multilocularis	chromodomain helicase DNA binding protein 1	0.0016	0.0046	0.0106
Echinococcus granulosus	chromobox protein 2	0.0016	0.0046	0.0106
Trichomonas vaginalis	set domain proteins, putative	0.0776	1	1
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0329	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0166	0.202	0.3594
Echinococcus granulosus	histone lysine methyltransferase setb	0.0166	0.202	0.4643
Trichomonas vaginalis	chromobox protein, putative	0.0016	0.0046	0.0046
Schistosoma mansoni	survival motor neuron protein	0.0049	0.048	0.0854
Echinococcus multilocularis	Chromobox protein 3	0.0016	0.0046	0.0106
Brugia malayi	MH2 domain containing protein	0.0075	0.0825	0.1044
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0031	0.0252	0.0319
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0037	0.0329	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0329	0.1431
Echinococcus granulosus	Chromo domain	0.0016	0.0046	0.0106
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0166	0.202	0.3594
Echinococcus granulosus	cytoplasmic intermediate filament protein	0.0013	0.0006	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0046	0.0058
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0031	0.0252	0.0319
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0166	0.202	1
Toxoplasma gondii	exonuclease III APE	0.0037	0.0329	0.1431
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0031	0.0252	0.0319
Schistosoma mansoni	hypothetical protein	0.0021	0.0122	0.0217
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0329	0.0328
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0037	0.0329	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0037	0.0329	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0016	0.0046	0.0046
Schistosoma mansoni	hypothetical protein	0.0344	0.435	0.7739
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0049	0.0062
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0046	0.0046
Schistosoma mansoni	chromobox protein-related (chromobox 1) (heterochromatin 1)	0.0016	0.0046	0.0082
Echinococcus multilocularis	Chromo domain	0.0016	0.0046	0.0106
Echinococcus granulosus	chromobox protein 1	0.0016	0.0046	0.0106
Echinococcus granulosus	single minded 2	0.0022	0.0124	0.0285
Onchocerca volvulus		0.0026	0.0183	0.0138
Echinococcus granulosus	L aminoadipate semialdehyde	0.0082	0.0919	0.2112
Brugia malayi	latrophilin 2 splice variant baaae	0.0021	0.0122	0.0154
Brugia malayi	chromobox protein homolog 3	0.0016	0.0046	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0252	0.0319
Plasmodium vivax	thioredoxin reductase, putative	0.0028	0.0213	0.0845
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0046	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0046	0.0058
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0049	0.048	0.0608
Loa Loa (eye worm)	thioredoxin reductase	0.0028	0.0213	0.027
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0016	0.0046	0.0046
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0016	0.0046	0.1397
Echinococcus granulosus	lamin	0.0026	0.0183	0.0421
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0023	0.0144	0.5
Leishmania major	trypanothione reductase	0.0028	0.0213	0.6476
Schistosoma mansoni	chromobox protein	0.0016	0.0046	0.0082
Loa Loa (eye worm)	hypoxia-induced factor 1	0.009	0.1025	0.1297
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0023	0.0144	0.0497
Brugia malayi	CHD4 protein	0.0016	0.0046	0.0058
Brugia malayi	hypoxia-induced factor 1	0.009	0.1025	0.1297
Brugia malayi	glutathione reductase	0.0028	0.0213	0.0269
Echinococcus granulosus	chromobox protein 1	0.0016	0.0046	0.0106
Brugia malayi	exodeoxyribonuclease III family protein	0.0037	0.0329	0.0416
Schistosoma mansoni	hypothetical protein	0.0049	0.048	0.0854
Brugia malayi	Pre-SET motif family protein	0.0616	0.7901	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0166	0.202	0.4643
Echinococcus granulosus	lamin dm0	0.0026	0.0183	0.0421
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0082	0.0919	0.1163
Toxoplasma gondii	thioredoxin reductase	0.0028	0.0213	0.0845
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0037	0.0329	0.0755
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0441	0.5621	1
Onchocerca volvulus		0.0082	0.0919	0.0877
Onchocerca volvulus		0.0026	0.0183	0.0138
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0037	0.0329	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0016	0.0049	0.0099
Echinococcus multilocularis	geminin	0.0344	0.435	1
Schistosoma mansoni	intermediate filament proteins	0.0026	0.0183	0.0326
Brugia malayi	bHLH-PAS transcription factor	0.0022	0.0124	0.0157
Loa Loa (eye worm)	CHromoDomain protein family member	0.0016	0.0046	0.0058
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0016	0.0046	0.1397
Echinococcus multilocularis	survival motor neuron protein 1	0.0239	0.2975	0.6838
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0006	0.0008
Entamoeba histolytica	hypothetical protein	0.0016	0.0046	0.1397
Onchocerca volvulus		0.0441	0.5621	0.5601
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0016	0.0046	0.0046
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0037	0.0329	1
Echinococcus granulosus	geminin	0.0344	0.435	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0616	0.7901	1
Echinococcus multilocularis	chromobox protein 1	0.0016	0.0046	0.0106
Echinococcus multilocularis	transfer RNA-Lys	0.0022	0.0124	0.0285
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0046	0.0046
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0016	0.0046	0.0046
Trichomonas vaginalis	chromobox protein, putative	0.0016	0.0046	0.0046
Schistosoma mansoni	chromodomain helicase DNA binding protein	0.0016	0.0046	0.0082
Brugia malayi	cytoplasmic intermediate filament protein	0.0014	0.0024	0.0031
Onchocerca volvulus		0.0022	0.0124	0.0078
Plasmodium vivax	ataxin-2 like protein, putative	0.0016	0.0049	0.0014
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0016	0.0046	0.0046
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0166	0.202	0.4643
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0046	0.0046
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0046	0.0046
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0037	0.0329	0.0755
Echinococcus granulosus	chromodomain helicase DNA binding protein 1	0.0016	0.0046	0.0106
Echinococcus granulosus	Chromobox protein 3	0.0016	0.0046	0.0106
Trichomonas vaginalis	chromobox protein, putative	0.0016	0.0046	0.0046
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0046	0.0046
Loa Loa (eye worm)	intermediate filament protein	0.0026	0.0183	0.0232
Brugia malayi	SET domain containing protein	0.0281	0.3522	0.4458
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1124	0.1423
Loa Loa (eye worm)	heterochromatin protein 1	0.0016	0.0046	0.0058
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0016	0.0046	0.0046
Entamoeba histolytica	chromodomain-helicase-DNA-binding protein, putative	0.0016	0.0046	0.1397
Plasmodium vivax	SET domain protein, putative	0.0166	0.202	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0177	0.0224
Brugia malayi	Associated with TFs and helicases family protein	0.0016	0.0046	0.0058
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0166	0.202	0.3594
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0028	0.0213	0.6476
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0037	0.0329	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0016	0.0049	0.1482

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.

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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 802877