TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 355.451 | Formula: C20H21NO3S
H donors: 0 H acceptors: 3 LogP: 3.45 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)N(C(=O)c1ccc(c(c1)C)C)C1C=CS(=O)(=O)C1
InChi: 1S/C20H21NO3S/c1-14-4-8-18(9-5-14)21(19-10-11-25(23,24)13-19)20(22)17-7-6-15(2)16(3)12-17/h4-12,19H,13H2,1-3H3
InChiKey: IWYZABOZLGGMEG-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	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0213	0.0216
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0071	0.0071
Schistosoma mansoni	hypothetical protein	0.0051	0.0238	0.0241
Loa Loa (eye worm)	jmjC domain-containing protein	0.0037	0.0119	0.0119
Brugia malayi	chromobox protein homolog 3	0.0041	0.0153	0.0153
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0126	0.0879	1
Plasmodium falciparum	glutathione reductase	0.005	0.0227	1
Brugia malayi	hypothetical protein	0.0323	0.2566	0.2566
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.018	0.4198
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0031	0.0064	0.0065
Loa Loa (eye worm)	PHD-finger family protein	0.0031	0.0064	0.0064
Brugia malayi	glutathione reductase	0.005	0.0227	0.0227
Echinococcus multilocularis	peregrin	0.0031	0.0064	0.0065
Schistosoma mansoni	hypothetical protein	0.0051	0.0238	0.0241
Brugia malayi	Bromodomain containing protein	0.0031	0.0064	0.0064
Echinococcus granulosus	jumonji domain containing protein	0.0043	0.0167	0.0169
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.1191	1	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0051	0.0238	0.0241
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0025	0.002	0.002
Schistosoma mansoni	hypothetical protein	0.0362	0.2901	0.294
Loa Loa (eye worm)	glutathione reductase	0.005	0.0227	0.0227
Toxoplasma gondii	isocitrate dehydrogenase	0.0034	0.0091	0.4026
Echinococcus granulosus	vesicular acetylcholine transporter	0.1175	0.9868	1
Trypanosoma brucei	isocitrate dehydrogenase, putative	0.0034	0.0091	0.0091
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.0091	0.0093
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0051	0.0238	0.0241
Plasmodium vivax	glutathione reductase, putative	0.005	0.0227	1
Trypanosoma brucei	C-8 sterol isomerase, putative	0.1191	1	1
Loa Loa (eye worm)	hypothetical protein	0.1191	1	1
Brugia malayi	Isocitrate dehydrogenase	0.0034	0.0091	0.0091
Toxoplasma gondii	PHD-finger domain-containing protein	0.0031	0.0064	0.2826
Schistosoma mansoni	hypothetical protein	0.0362	0.2901	0.294
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.01	0.066	0.0668
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0153	0.3576
Schistosoma mansoni	jumonji domain containing protein	0.008	0.0483	0.049
Plasmodium falciparum	isocitrate dehydrogenase [NADP], mitochondrial	0.0034	0.0091	0.4026
Loa Loa (eye worm)	MH2 domain-containing protein	0.0255	0.1986	0.1986
Mycobacterium tuberculosis	Probable dehydrogenase	0.0113	0.0771	0.8628
Echinococcus granulosus	chromobox protein 1	0.0073	0.0428	0.0434
Toxoplasma gondii	PHD-finger domain-containing protein	0.0031	0.0064	0.2826
Loa Loa (eye worm)	hypothetical protein	0.011	0.0743	0.0743
Brugia malayi	RNA, U transporter 1	0.0089	0.0566	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0071	0.0071
Brugia malayi	MH2 domain containing protein	0.0255	0.1986	0.1986
Echinococcus granulosus	GPCR family 2	0.0051	0.0238	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0153	0.0153
Trypanosoma brucei	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.0091	0.0091
Trypanosoma cruzi	isocitrate dehydrogenase, putative	0.0034	0.0091	0.0091
Brugia malayi	PHD-finger family protein	0.0031	0.0064	0.0064
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0238	0.0238
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.0137	0.0139
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.0227	0.1721
Plasmodium vivax	importin-beta 2, putative	0.0031	0.0071	0.3124
Echinococcus multilocularis	isocitrate dehydrogenase 2 (NADP+)	0.0034	0.0091	0.0093
Entamoeba histolytica	hypothetical protein	0.0039	0.0137	1
Loa Loa (eye worm)	isocitrate dehydrogenase	0.0034	0.0091	0.0091
Echinococcus multilocularis	snurportin 1	0.0335	0.2668	0.2704
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0051	0.1183
Entamoeba histolytica	hypothetical protein	0.0039	0.0137	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0213	0.0216
Schistosoma mansoni	hypothetical protein	0.0051	0.0238	0.0241
Onchocerca volvulus		0.0032	0.0077	0.0013
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0119	0.0121
Brugia malayi	hypothetical protein	0.0039	0.0137	0.0137
Leishmania major	importin beta-1 subunit, putative	0.0025	0.002	0.002
Schistosoma mansoni	chromobox protein	0.0073	0.0428	0.0434
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0213	0.0216
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.0137	0.0139
Echinococcus multilocularis	lysine specific demethylase 5A	0.0037	0.0119	0.0121
Echinococcus multilocularis	GPCR, family 2	0.0051	0.0238	0.0241
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0213	0.0216
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0161	0.1178	0.1178
Schistosoma mansoni	hypothetical protein	0.0039	0.0137	0.0139
Brugia malayi	Heterochromatin protein 1	0.0073	0.0428	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0064	0.0064
Loa Loa (eye worm)	heterochromatin protein 1	0.0073	0.0428	0.0428
Toxoplasma gondii	HEAT repeat-containing protein	0.0031	0.0071	0.3124
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0213	0.0213
Loa Loa (eye worm)	hypothetical protein	0.0161	0.1178	0.1178
Schistosoma mansoni	hypothetical protein	0.0031	0.0064	0.0065
Brugia malayi	vesicular acetylcholine transporter unc-17	0.1175	0.9868	0.9868
Schistosoma mansoni	hypothetical protein	0.0051	0.0238	0.0241
Echinococcus granulosus	lysine specific demethylase 5A	0.0037	0.0119	0.0121
Echinococcus granulosus	importin subunit beta 1	0.0031	0.0071	0.0072
Trichomonas vaginalis	conserved hypothetical protein	0.0041	0.0153	0.3576
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0051	0.0238	0.0238
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0213	0.0216
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0113	0.0771	0.8628
Brugia malayi	Importin beta-1 subunit	0.0031	0.0071	0.0071
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.01	0.066	0.0668
Plasmodium falciparum	phd finger protein, putative	0.0031	0.0064	0.2826
Entamoeba histolytica	hypothetical protein	0.0039	0.0137	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0051	0.0238	0.0241
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.0137	0.0139
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.0227	0.0227
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.0227	0.023
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.002	0.047
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0161	0.1178	0.1178
Schistosoma mansoni	vesicular acetylcholine transporter	0.1175	0.9868	1
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.0227	0.0227
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0025	0.002	0.047
Schistosoma mansoni	importin beta-1	0.0031	0.0071	0.0072
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0037	0.0119	0.0121
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.0227	0.023
Leishmania major	C-8 sterol isomerase-like protein	0.1191	1	1
Entamoeba histolytica	hypothetical protein	0.0039	0.0137	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0113	0.0771	0.8628
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0051	0.0238	0.0241
Trypanosoma brucei	importin beta-1 subunit, putative	0.0031	0.0071	0.0071
Echinococcus multilocularis	chromobox protein 1	0.0073	0.0428	0.0434
Trypanosoma cruzi	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.0091	0.0091
Entamoeba histolytica	hypothetical protein	0.0025	0.002	0.1464
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0213	0.0213
Mycobacterium tuberculosis	Probable oxidoreductase	0.0126	0.0879	1
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.0091	0.0093
Trichomonas vaginalis	importin beta-1, putative	0.0025	0.002	0.047
Brugia malayi	Thioredoxin reductase	0.005	0.0227	0.0227
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0126	0.0879	1
Schistosoma mansoni	hypothetical protein	0.0335	0.2668	0.2704
Leishmania major	isocitrate dehydrogenase [NADP], mitochondrial precursor, putative	0.0034	0.0091	0.0091
Loa Loa (eye worm)	transcription factor SMAD2	0.0255	0.1986	0.1986
Echinococcus multilocularis	importin subunit beta 1	0.0031	0.0071	0.0072
Plasmodium vivax	isocitrate dehydrogenase [NADP], mitochondrial, putative	0.0034	0.0091	0.4026
Brugia malayi	jmjC domain containing protein	0.0037	0.0119	0.0119
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0064	0.2826
Toxoplasma gondii	isocitrate dehydrogenase	0.0034	0.0091	0.4026
Echinococcus multilocularis	jumonji domain containing protein	0.0043	0.0167	0.0169
Echinococcus granulosus	geminin	0.0362	0.2901	0.294
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0113	0.0771	0.8628
Echinococcus multilocularis	geminin	0.0362	0.2901	0.294
Brugia malayi	Latrophilin receptor protein 2	0.0051	0.0238	0.0238
Plasmodium falciparum	thioredoxin reductase	0.005	0.0227	1
Trypanosoma brucei	trypanothione reductase	0.005	0.0227	0.0227
Leishmania major	trypanothione reductase	0.005	0.0227	0.0227
Brugia malayi	latrophilin 2 splice variant baaae	0.011	0.0743	0.0743
Brugia malayi	jmjC domain containing protein	0.01	0.066	0.066
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0044	0.018	0.0118
Echinococcus multilocularis	vesicular acetylcholine transporter	0.1175	0.9868	1
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0031	0.0064	0.0065
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0153	0.0091
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0113	0.0771	0.8628
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0213	0.0216
Onchocerca volvulus		0.0323	0.2566	0.2552
Echinococcus multilocularis	isocitrate dehydrogenase	0.0034	0.0091	0.0093
Schistosoma mansoni	hypothetical protein	0.011	0.0743	0.0753
Trichomonas vaginalis	conserved hypothetical protein	0.0029	0.0051	0.1183
Loa Loa (eye worm)	jmjC domain-containing protein	0.0063	0.0343	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0323	0.2566	0.2566
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0161	0.1178	0.1178
Echinococcus granulosus	NADP dependent isocitrate dehydrogenase	0.0034	0.0091	0.0093
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0335	0.2668	0.2668
Echinococcus granulosus	snurportin 1	0.0335	0.2668	0.2704
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0051	0.0238	0.0238
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0077	0.0077
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0213	0.0216
Trichomonas vaginalis	chromobox protein, putative	0.0044	0.018	0.4198
Trichomonas vaginalis	chromobox protein, putative	0.0073	0.0428	1
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.1175	0.9868	0.9868
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0126	0.0879	1
Toxoplasma gondii	thioredoxin reductase	0.005	0.0227	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0031	0.0064	0.0065
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.1175	0.9868	1
Echinococcus granulosus	chromobox protein 1	0.0073	0.0428	0.0434
Giardia lamblia	PHD finger protein 15	0.0031	0.0064	1
Plasmodium falciparum	importin beta, putative	0.0031	0.0071	0.3124
Schistosoma mansoni	NADP-specific isocitrate dehydrogenase	0.0034	0.0091	0.0093
Echinococcus multilocularis	NADP dependent isocitrate dehydrogenase	0.0034	0.0091	0.0093
Echinococcus granulosus	peregrin	0.0031	0.0064	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0251	0.0251
Mycobacterium tuberculosis	Probable reductase	0.0113	0.0771	0.8628
Echinococcus multilocularis	chromobox protein 1	0.0073	0.0428	0.0434
Loa Loa (eye worm)	hypothetical protein	0.0609	0.5015	0.5015
Trichomonas vaginalis	chromobox protein, putative	0.0073	0.0428	1
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.0227	1
Schistosoma mansoni	chromobox protein	0.0073	0.0428	0.0434
Brugia malayi	isocitrate dehydrogenase	0.0034	0.0091	0.0091

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 828883