TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 479.57 | Formula: C21H25N3O6S2
H donors: 2 H acceptors: 6 LogP: 2.66 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)[C@H](NS(=O)(=O)c1ccc(cc1)C)CCCCNS(=O)(=O)c1ccc(cc1)C#N
InChi: 1S/C21H25N3O6S2/c1-16-6-10-19(11-7-16)32(28,29)24-20(21(25)30-2)5-3-4-14-23-31(26,27)18-12-8-17(15-22)9-13-18/h6-13,20,23-24H,3-5,14H2,1-2H3/t20-/m0/s1
InChiKey: OLKPJCZWSYTWOU-FQEVSTJZSA-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
Echinococcus granulosus	expressed conserved protein	0.0094	0.358	0.426
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0944	0.1123
Echinococcus multilocularis	dynamin 1	0.0198	0.8405	1
Plasmodium vivax	dynamin-like protein, putative	0.0184	0.7751	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0944	0.1123
Loa Loa (eye worm)	hypothetical protein	0.0052	0.1679	0.1998
Schistosoma mansoni	hypothetical protein	0.0041	0.1165	0.1386
Brugia malayi	Niemann-Pick C1 protein precursor	0.01	0.3859	0.4591
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0944	0.1123
Trypanosoma brucei	dynamin-1-like protein	0.0184	0.7751	1
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0944	1
Loa Loa (eye worm)	hypothetical protein	0.015	0.6161	0.733
Leishmania major	hypothetical protein, conserved	0.0036	0.0944	0.0778
Mycobacterium tuberculosis	Probable lipase LipE	0.0036	0.0944	0.0903
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0944	0.1114
Onchocerca volvulus		0.0036	0.0944	1
Echinococcus granulosus	muscleblind protein	0.015	0.6161	0.733
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0944	0.1123
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0036	0.0944	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0944	0.1123
Mycobacterium ulcerans	hypothetical protein	0.0024	0.037	0.3277
Schistosoma mansoni	hypothetical protein	0.0041	0.1165	0.1386
Schistosoma mansoni	hypothetical protein	0.0041	0.1165	0.1386
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.1591	0.1892
Trichomonas vaginalis	dynamin, putative	0.0184	0.7751	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0944	0.1123
Schistosoma mansoni	hypothetical protein	0.0035	0.0854	0.1017
Echinococcus multilocularis	Niemann Pick C1 protein	0.01	0.3859	0.4591
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0108
Trichomonas vaginalis	mgm1, putative	0.0184	0.7751	1
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.037	0.3277
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0944	1
Loa Loa (eye worm)	DRP-1 protein	0.0184	0.7751	0.9223
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0944	0.1123
Echinococcus multilocularis	dynamin	0.0184	0.7751	0.9223
Trypanosoma brucei	dynamin-1-like protein	0.0184	0.7751	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0854	0.1017
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.1236	0.0428
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0944	0.0903
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0036	0.0944	0.0903
Trichomonas vaginalis	interferon-induced GTP-binding protein mx, putative	0.0184	0.7751	1
Mycobacterium ulcerans	lipase LipD	0.0036	0.0944	1
Brugia malayi	beta-lactamase family protein	0.0036	0.0944	0.1123
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.1591	0.1892
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0944	0.1123
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.037	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0108
Schistosoma mansoni	dynamin	0.0184	0.7751	0.9223
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0944	0.1123
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.037	0.0441
Entamoeba histolytica	dynamin-like protein	0.0184	0.7751	1
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0944	1
Onchocerca volvulus		0.0036	0.0944	1
Entamoeba histolytica	dynamin-1-like protein, putative	0.0056	0.1829	0.1977
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.037	0.3277
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0944	0.1123
Echinococcus multilocularis	muscleblind protein	0.015	0.6161	0.733
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0944	0.0903
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0854	0.1017
Brugia malayi	beta-lactamase family protein	0.0036	0.0944	0.1123
Echinococcus multilocularis	muscleblind protein 1	0.015	0.6161	0.733
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.037	0.3277
Trichomonas vaginalis	dynamin, putative	0.0184	0.7751	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0036	0.0944	0.0903
Echinococcus multilocularis	dynamin 1 protein	0.0184	0.7751	0.9223
Echinococcus multilocularis	expressed conserved protein	0.0094	0.358	0.426
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.037	0.0326
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.037	0.3277
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.01	0.3859	0.4726
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0944	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0108
Mycobacterium tuberculosis	Probable lipase LipD	0.0036	0.0944	0.0903
Trichomonas vaginalis	dynamin, putative	0.0184	0.7751	1
Plasmodium vivax	dynamin protein, putative	0.0184	0.7751	1
Brugia malayi	Dynamin central region family protein	0.0184	0.7751	0.9223
Echinococcus granulosus	dynamin 1 protein	0.0184	0.7751	0.9223
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0108
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0944	1
Echinococcus granulosus	sterol regulatory element binding protein	0.0043	0.1236	0.147
Mycobacterium tuberculosis	Probable esterase LipL	0.0036	0.0944	0.0903
Loa Loa (eye worm)	hypothetical protein	0.015	0.6161	0.733
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0101	0.393	0.4676
Echinococcus granulosus	dynamin 1	0.0198	0.8405	1
Toxoplasma gondii	dynamin gtpase	0.0121	0.4856	0.5747
Schistosoma mansoni	dynamin	0.0198	0.8405	1
Mycobacterium tuberculosis	Probable hydrolase	0.0036	0.0944	0.0903
Entamoeba histolytica	dynamin-1-like protein, putative	0.0184	0.7751	1
Leishmania major	GTP-binding protein, putative	0.0184	0.7751	1
Plasmodium falciparum	dynamin-like protein	0.0184	0.7751	1
Onchocerca volvulus		0.0036	0.0944	1
Echinococcus multilocularis	protein dispatched 1	0.0049	0.1514	0.1802
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.037	0.3277
Brugia malayi	Dynamin	0.0198	0.8405	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0043	0.1236	0.147
Trichomonas vaginalis	dynamin, putative	0.0184	0.7751	1
Schistosoma mansoni	dynamin	0.0198	0.8405	1
Toxoplasma gondii	dynamin-related protein DRPB	0.0184	0.7751	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0944	0.1123
Trichomonas vaginalis	dynamin, putative	0.0184	0.7751	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.037	0.0441
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0091	0.0108
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0091	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0024	0.037	0.0441
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0944	1
Schistosoma mansoni	hypothetical protein	0.0041	0.1165	0.1386
Toxoplasma gondii	dynamin-related protein DRPA	0.0184	0.7751	1
Brugia malayi	AMP-binding enzyme family protein	0.0024	0.037	0.0441
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0944	0.1123
Brugia malayi	beta-lactamase	0.0036	0.0944	0.1123
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.037	0.0326
Giardia lamblia	Dynamin	0.0184	0.7751	0.5
Loa Loa (eye worm)	hypothetical protein	0.0024	0.037	0.0441
Mycobacterium tuberculosis	Conserved protein	0.0036	0.0944	0.0903
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0944	0.1123
Echinococcus multilocularis	Niemann Pick C1 protein	0.0142	0.5831	0.6938
Echinococcus granulosus	Niemann Pick C1 protein	0.01	0.3859	0.4591
Trichomonas vaginalis	dynamin, putative	0.0184	0.7751	1
Plasmodium falciparum	dynamin-like protein	0.0184	0.7751	1
Loa Loa (eye worm)	hypothetical protein	0.01	0.3859	0.4591
Brugia malayi	CHE-14 protein	0.0043	0.1236	0.147
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0043	0.1236	0.147
Echinococcus granulosus	Niemann Pick C1 protein	0.0142	0.5831	0.6938
Echinococcus granulosus	dynamin	0.0184	0.7751	0.9223
Trypanosoma cruzi	dynamin-1-like protein	0.0184	0.7751	1
Brugia malayi	Muscleblind-like protein	0.015	0.6161	0.733
Schistosoma mansoni	patched 1	0.0043	0.1236	0.147
Loa Loa (eye worm)	hypothetical protein	0.0198	0.8405	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.1591	0.1892
Brugia malayi	Dynamin	0.0198	0.8405	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0091	0.5
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.037	0.3277
Loa Loa (eye worm)	hypothetical protein	0.005	0.1591	0.1892
Echinococcus multilocularis	protein patched	0.0043	0.1236	0.147
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1236	0.147
Echinococcus granulosus	Protein patched homolog 1	0.0043	0.1236	0.147
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.037	0.3277

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 882151