TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 508.975 | Formula: C22H25ClN4O6S
H donors: 3 H acceptors: 4 LogP: 1.9 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: NCCNS(=O)(=O)Nc1cccc(c1)Cc1c(=O)oc2c(c1C)cc(c(c2)OC(=O)N(C)C)Cl
InChi: 1S/C22H25ClN4O6S/c1-13-16-11-18(23)20(33-22(29)27(2)3)12-19(16)32-21(28)17(13)10-14-5-4-6-15(9-14)26-34(30,31)25-8-7-24/h4-6,9,11-12,25-26H,7-8,10,24H2,1-3H3
InChiKey: JSYRQNWVIKWDKT-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
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0028	0.0084
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0028	0.0084
Loa Loa (eye worm)	raf kinase	0.026	0.2706	0.8283
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0028	0.0084
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.007	0.0658	0.0658
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0028	0.0084
Brugia malayi	Protein kinase c protein 2	0.0011	0.0022	0.0066
Brugia malayi	protein kinase C II.	0.0011	0.0022	0.0066
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0028	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0197	0.0603
Brugia malayi	protein kinase C3,putative	0.0011	0.0022	0.0066
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0028	0.0028
Schistosoma mansoni	dual specificity serine/threonine tyrosine kinase	0.0312	0.3267	1
Brugia malayi	hypothetical protein	0.0042	0.035	0.1071
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0028	0.0084
Entamoeba histolytica	acyl-coA synthetase, putative	0.0027	0.0197	0.1747
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0147	0.0451
Echinococcus granulosus	muscleblind protein	0.0173	0.1762	0.5393
Schistosoma mansoni	serine/threonine protein kinase	0.0011	0.0022	0.0066
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.035	0.1071
Entamoeba histolytica	hypothetical protein	0.0042	0.035	0.3101
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0197	0.1747
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0028	0.0084
Schistosoma mansoni	serine/threonine protein kinase	0.0011	0.0022	0.0066
Schistosoma mansoni	lipoxygenase	0.0095	0.0928	0.2842
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0027	0.0197	0.1394
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.007	0.0658	1
Schistosoma mansoni	rab6-interacting	0.0023	0.0147	0.0451
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0023	0.0147	0.0147
Echinococcus granulosus	Protein patched homolog 1	0.0049	0.0428	0.131
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0197	0.1394
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0027	0.0197	0.1394
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0114	0.1128	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0028	0.0084
Echinococcus granulosus	protein kinase c epsilon type	0.0011	0.0022	0.0066
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.035	0.035
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0028	0.0084
Onchocerca volvulus		0.0027	0.0197	0.0603
Loa Loa (eye worm)	CAMK/PKD protein kinase	0.0011	0.0022	0.0066
Brugia malayi	Phorbol esters/diacylglycerol binding domain	0.0011	0.0022	0.0066
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0658	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0049	0.0428	0.0428
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0028	0.0028
Schistosoma mansoni	protein kinase C mu	0.0011	0.0022	0.0066
Brugia malayi	Raf kinase	0.0253	0.2621	0.8024
Brugia malayi	Doublecortin family protein	0.0023	0.0147	0.0451
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0197	0.0603
Loa Loa (eye worm)	doublecortin family protein	0.0023	0.0147	0.0451
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0028	0.0084
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.002	0.0122	0.022
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0028	0.0084
Brugia malayi	nuclear hormone receptor	0.0012	0.0028	0.0084
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0028	0.0084
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0028	0.0084
Echinococcus granulosus	expressed conserved protein	0.0107	0.1053	0.3224
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0049	0.0428	0.131
Trichomonas vaginalis	CAMK family protein kinase	0.0312	0.3267	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0197	0.1394
Brugia malayi	Muscleblind-like protein	0.0173	0.1762	0.5393
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0028	0.0084
Echinococcus granulosus	Niemann Pick C1 protein	0.0114	0.1128	0.3452
Mycobacterium ulcerans	acyl-CoA synthetase	0.0027	0.0197	0.1394
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0028	0.0084
Echinococcus multilocularis	RUN	0.0023	0.0147	0.0147
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0028	0.0084
Echinococcus granulosus	sterol regulatory element binding protein	0.0049	0.0428	0.131
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0028	0.0084
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0028	0.0084
Echinococcus multilocularis	dual specificity serine:threonine tyrosine	0.0312	0.3267	0.3267
Echinococcus granulosus	raf serine:threonine protein kinase	0.0262	0.272	0.8325
Loa Loa (eye worm)	hypothetical protein	0.0173	0.1762	0.5393
Echinococcus multilocularis	protein dispatched 1	0.0056	0.0502	0.0502
Schistosoma mansoni	loxhd1	0.0023	0.0147	0.0451
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0028	0.0084
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0028	0.0084
Onchocerca volvulus		0.0023	0.0147	0.0451
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0028	0.0084
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0658	0.2014
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0028	0.0084
Loa Loa (eye worm)	hypothetical protein	0.002	0.0122	0.0374
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0028	0.0084
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0028	0.0084
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0197	0.0603
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0028	0.0084
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0197	0.5
Entamoeba histolytica	hypothetical protein	0.0042	0.035	0.3101
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0027	0.0197	0.1583
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0028	0.0084
Echinococcus multilocularis	protein kinase c iota type	0.0011	0.0022	0.0022
Brugia malayi	Protein kinase domain containing protein	0.0011	0.0022	0.0066
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0116	0.1147	0.351
Echinococcus multilocularis	muscleblind protein	0.0173	0.1762	0.1762
Echinococcus multilocularis	serine:threonine protein kinase MRCK beta	0.0011	0.0022	0.0022
Entamoeba histolytica	hypothetical protein	0.0042	0.035	0.3101
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0028	0.0084
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0028	0.0084
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0028	0.0084
Schistosoma mansoni	serine/threonine protein kinase	0.0011	0.0022	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1128	0.3452
Schistosoma mansoni	serine/threonine protein kinase	0.0011	0.0022	0.0066
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0028	0.0028
Echinococcus multilocularis	protein kinase c epsilon type	0.0011	0.0022	0.0022
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0028	0.0084
Echinococcus granulosus	lipoxygenase domain containing protein	0.0023	0.0147	0.0451
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.007	0.0658	1
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0028	0.0084
Echinococcus granulosus	dual specificity serine:threonine tyrosine	0.0312	0.3267	1
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0028	0.0084
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.007	0.0658	0.2014
Echinococcus granulosus	Protein kinase C brain isozyme	0.0011	0.0022	0.0066
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0028	0.0028
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0197	0.0603
Echinococcus multilocularis	Niemann Pick C1 protein	0.0114	0.1128	0.1128
Onchocerca volvulus		0.0023	0.0147	0.0451
Brugia malayi	Niemann-Pick C1 protein precursor	0.0114	0.1128	0.3452
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0027	0.0197	0.1583
Echinococcus multilocularis	Niemann Pick C1 protein	0.0163	0.1654	0.1654
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0658	1
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0028	0.0084
Schistosoma mansoni	serine/threonine protein kinase	0.0011	0.0022	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0147	0.0451
Echinococcus granulosus	Serine/threonine-protein kinase Genghis Khan	0.0011	0.0022	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0428	0.131
Schistosoma mansoni	lipoxygenase	0.0136	0.137	0.4195
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0136	0.137	0.137
Toxoplasma gondii	aldehyde dehydrogenase	0.007	0.0658	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0122	0.0374
Echinococcus granulosus	Polycystic kidney disease protein	0.0023	0.0147	0.0451
Brugia malayi	AMP-binding enzyme family protein	0.0027	0.0197	0.0603
Loa Loa (eye worm)	AGC/PKC/IOTA protein kinase	0.0011	0.0022	0.0066
Loa Loa (eye worm)	hypothetical protein	0.006	0.0546	0.1672
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0027	0.0197	0.1747
Echinococcus multilocularis	muscleblind protein 1	0.0173	0.1762	0.1762
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0028	0.0084
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0028	0.0028
Brugia malayi	C1-like domain containing protein	0.0011	0.0022	0.0066
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0028	0.0084
Schistosoma mansoni	hypothetical protein	0.0047	0.0409	0.1252
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0028	0.0028
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0028	0.0084
Echinococcus granulosus	lipoxygenase domain containing protein	0.0023	0.0147	0.0451
Schistosoma mansoni	patched 1	0.0049	0.0428	0.131
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.002	0.0122	0.5
Brugia malayi	steroid hormone receptor	0.0012	0.0028	0.0084
Schistosoma mansoni	hypothetical protein	0.0047	0.0409	0.1252
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0028	0.0084
Plasmodium vivax	multidomain scavenger receptor, putative	0.0023	0.0147	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0028	0.0084
Onchocerca volvulus		0.0012	0.0028	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0028	0.0084
Loa Loa (eye worm)	hypothetical protein	0.002	0.0122	0.0374
Entamoeba histolytica	hypothetical protein	0.0042	0.035	0.3101
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0028	0.0084
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0028	0.0084
Schistosoma mansoni	hypothetical protein	0.0047	0.0409	0.1252
Onchocerca volvulus	Dual specificity protein kinase TTK homolog	0.0312	0.3267	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0028	0.0028
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0028	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0197	0.0603
Schistosoma mansoni	coup transcription factor	0.0012	0.0028	0.0084
Loa Loa (eye worm)	TKL/RAF/RAF protein kinase	0.0148	0.1499	0.459
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0027	0.0197	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0028	0.0084
Schistosoma mansoni	rab6-interacting	0.0023	0.0147	0.0451
Echinococcus granulosus	protein kinase c iota type	0.0011	0.0022	0.0066
Echinococcus multilocularis	protein patched	0.0049	0.0428	0.0428
Trichomonas vaginalis	CAMK family protein kinase	0.0312	0.3267	1
Loa Loa (eye worm)	hypothetical protein	0.002	0.0122	0.0374
Schistosoma mansoni	aldehyde dehydrogenase	0.007	0.0658	0.2014
Giardia lamblia	Kinase, TTK	0.0312	0.3267	0.5
Brugia malayi	hypothetical protein	0.0023	0.0147	0.0451
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0023	0.0147	0.0147
Plasmodium falciparum	LCCL domain-containing protein	0.0023	0.0147	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0027	0.0197	0.1394
Schistosoma mansoni	hypothetical protein	0.0023	0.0147	0.0451
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0028	0.0084
Mycobacterium ulcerans	hypothetical protein	0.0027	0.0197	0.1394
Brugia malayi	ecdysteroid receptor	0.0012	0.0028	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0028	0.0084
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0028	0.0084
Loa Loa (eye worm)	TTK protein kinase	0.0312	0.3267	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0028	0.0084
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0028	0.0028
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0028	0.0084
Schistosoma mansoni	polycystin 1-related	0.0023	0.0147	0.0451
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0136	0.137	0.4195
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0011	0.0022	0.0066
Loa Loa (eye worm)	hypothetical protein	0.0173	0.1762	0.5393
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0028	0.0084
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0028	0.0028
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0028	0.0084
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0027	0.0197	0.1394
Brugia malayi	CHE-14 protein	0.0049	0.0428	0.131
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0028	0.0084
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0028	0.0084
Schistosoma mansoni	hypothetical protein	0.0042	0.035	0.1071
Brugia malayi	Protein kinase domain containing protein	0.0312	0.3267	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0163	0.1654	0.5062
Brugia malayi	hypothetical protein	0.0023	0.0147	0.0451
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0028	0.0084
Loa Loa (eye worm)	hypothetical protein	0.002	0.0122	0.0374
Echinococcus multilocularis	raf serine:threonine protein kinase	0.0262	0.272	0.272
Echinococcus multilocularis	Polycystic kidney disease protein	0.0023	0.0147	0.0147
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0028	0.0084
Schistosoma mansoni	atypical protein kinase C	0.0011	0.0022	0.0066
Echinococcus multilocularis	expressed conserved protein	0.0107	0.1053	0.1053
Mycobacterium ulcerans	aldehyde dehydrogenase	0.007	0.0658	1
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0028	0.0084
Schistosoma mansoni	hypothetical protein	0.0047	0.0409	0.1252
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.035	0.1071
Schistosoma mansoni	serine/threonine protein kinase	0.0262	0.272	0.8325
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0011	0.0022	0.0022
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0028	0.0084
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0028	0.0084
Echinococcus granulosus	RUN	0.0023	0.0147	0.0451

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: CHEMBL3139338

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 1858028