TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.861 | Formula: C20H14ClN3O3S
H donors: 1 H acceptors: 4 LogP: 4.6 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)S(=O)(=O)n1nc(c2c1cccc2)C(=O)Nc1ccccc1
InChi: 1S/C20H14ClN3O3S/c21-14-10-12-16(13-11-14)28(26,27)24-18-9-5-4-8-17(18)19(23-24)20(25)22-15-6-2-1-3-7-15/h1-13H,(H,22,25)
InChiKey: YLOLDPNSQPOVRG-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
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.1047	0.4195
Echinococcus granulosus	ubiquitin specific protease 41	0.0043	0.1092	0.1121
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.1047	0.5
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.1047	0.0793
Mycobacterium ulcerans	lipase LipD	0.0042	0.1047	0.4195
Loa Loa (eye worm)	hypothetical protein	0.0204	0.7472	0.9885
Onchocerca volvulus		0.0042	0.1047	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1047	0.1059
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.1047	0.0793
Leishmania major	hypothetical protein, conserved	0.0042	0.1047	0.1059
Entamoeba histolytica	ubiquitin carboxyl-terminal hydrolase domain containing protein	0.0043	0.1092	0.1121
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0023	0.028	0.0005
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.028	0.0005
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0043	0.1092	0.1751
Brugia malayi	photoreceptor-specific nuclear receptor	0.0023	0.028	0.0005
Echinococcus granulosus	hypothetical protein	0.0138	0.4851	0.6284
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0023	0.028	0.0005
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0023	0.028	0.0005
Onchocerca volvulus		0.0042	0.1047	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0023	0.028	0.0005
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.2114	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.028	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0023	0.028	0.0005
Loa Loa (eye worm)	CMGC/CLK protein kinase	0.014	0.4935	0.6399
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0276	0.0366
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0023	0.028	0.0005
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.1047	0.0793
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0069	0.2114	0.2524
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0023	0.028	0.0005
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0276	0.0366
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0023	0.028	0.0005
Echinococcus granulosus	dual specificity	0.0206	0.7556	1
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0023	0.028	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1047	0.1059
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0043	0.1092	0.1121
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0023	0.028	0.0005
Toxoplasma gondii	aldehyde dehydrogenase	0.0069	0.2114	0.2744
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.1047	0.4195
Leishmania major	protein kinase, putative	0.014	0.4935	0.6399
Brugia malayi	ecdysteroid receptor	0.0023	0.028	0.0005
Brugia malayi	beta-lactamase family protein	0.0042	0.1047	0.1059
Schistosoma mansoni	serine/threonine protein kinase	0.014	0.4935	0.6399
Brugia malayi	beta-lactamase	0.0042	0.1047	0.1059
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0023	0.028	0.0005
Trypanosoma cruzi	ubiquitin carboxyl-terminal hydrolase, putative	0.0043	0.1092	0.1121
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0023	0.028	0.0005
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0023	0.028	0.0005
Echinococcus multilocularis	dual specificity protein kinase clk2	0.014	0.4935	0.6399
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.1047	0.1655
Loa Loa (eye worm)	hypothetical protein	0.0023	0.028	0.0005
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0023	0.028	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1047	0.1059
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0023	0.028	0.0005
Brugia malayi	Steroid receptor seven-up type 2	0.0023	0.028	0.0005
Schistosoma mansoni	thyroid hormone receptor	0.0023	0.028	0.0005
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0276	0.0366
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0276	0.0366
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0276	0.0366
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0276	0.0366
Entamoeba histolytica	hypothetical protein	0.0206	0.7556	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.1047	0.1059
Echinococcus granulosus	dual specificity protein kinase clk2	0.014	0.4935	0.6399
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.1047	0.0793
Trypanosoma brucei	unspecified product	0.0022	0.0276	0.0366
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.1047	0.0793
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0023	0.028	0.0005
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.1047	0.1655
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0023	0.028	0.0005
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.1047	0.0793
Brugia malayi	beta-lactamase family protein	0.0042	0.1047	0.1059
Loa Loa (eye worm)	hypothetical protein	0.0138	0.4851	0.6284
Loa Loa (eye worm)	hypothetical protein	0.0023	0.028	0.0005
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.1047	0.1655
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.2114	1
Trypanosoma brucei	kinetoplastid kinetochore protein 10	0.014	0.4935	0.6531
Mycobacterium tuberculosis	Conserved protein	0.0042	0.1047	0.0793
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0206	0.7556	1
Schistosoma mansoni	serine/threonine protein kinase	0.0206	0.7556	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0023	0.028	0.0005
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.1047	0.1386
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.028	0.0005
Echinococcus granulosus	FTZ F1 alpha	0.0023	0.028	0.0005
Echinococcus granulosus	Peptidase C19 ubiquitin carboxyl terminal hydrolase 2	0.0043	0.1092	0.1121
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0276	0.0366
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0023	0.028	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1047	0.1059
Leishmania major	ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative	0.0043	0.1092	0.1121
Loa Loa (eye worm)	hypothetical protein	0.0023	0.028	0.0005
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.028	0.0005
Trichomonas vaginalis	Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase	0.0043	0.1092	0.1751
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0023	0.028	0.0005
Schistosoma mansoni	RAR-like nuclear receptor	0.0023	0.028	0.0005
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0069	0.2114	0.2524
Schistosoma mansoni	thyroid hormone receptor	0.0023	0.028	0.0005
Loa Loa (eye worm)	steroid hormone receptor	0.0023	0.028	0.0005
Plasmodium falciparum	protein serine/threonine kinase-1	0.014	0.4935	0.5
Brugia malayi	Protein kinase domain containing protein	0.0206	0.7556	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0023	0.028	0.0005
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.028	0.0005
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0276	0.0366
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0023	0.028	0.0005
Entamoeba histolytica	protein kinase, putative	0.0206	0.7556	1
Schistosoma mansoni	ubiquitin-specific peptidase 8 (C19 family)	0.0043	0.1092	0.1121
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.1047	0.1059
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.014	0.4935	0.6399
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0023	0.028	0.0005
Echinococcus multilocularis	ubiquitin carboxyl terminal hydrolase 8	0.0043	0.1092	0.1121
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1047	0.1059
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0023	0.028	0.0005
Schistosoma mansoni	ubiquitin-specific peptidase 2 (C19 family)	0.0043	0.1092	0.1121
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0206	0.7556	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0023	0.028	0.0005
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0276	0.0366
Mycobacterium leprae	Probable lipase LipE	0.0042	0.1047	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.1047	0.1059
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0023	0.028	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0023	0.028	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0023	0.028	0.0005
Trypanosoma cruzi	kinetoplastid kinetochore protein 19, putative	0.014	0.4935	0.6399
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0069	0.2114	0.189
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0069	0.2114	0.2524
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1047	0.1059
Trichomonas vaginalis	conserved hypothetical protein	0.0043	0.1092	0.1751
Echinococcus multilocularis	ubiquitin specific protease 41	0.0043	0.1092	0.1121
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0023	0.028	0.0005
Echinococcus granulosus	ubiquitin carboxyl terminal hydrolase 8	0.0043	0.1092	0.1121
Brugia malayi	nuclear receptor NHR-88	0.0023	0.028	0.0005
Schistosoma mansoni	coup transcription factor	0.0023	0.028	0.0005
Giardia lamblia	Kinase, CMGC CLK	0.014	0.4935	1
Entamoeba histolytica	protein kinase domain containing protein	0.0206	0.7556	1
Brugia malayi	Protein kinase domain containing protein	0.014	0.4935	0.6399
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0023	0.028	0.0005
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0206	0.7556	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.014	0.4935	0.6399
Echinococcus granulosus	ecdysone induced protein 78C	0.0023	0.028	0.0005
Loa Loa (eye worm)	hypothetical protein	0.0204	0.7472	0.9885
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0023	0.028	0.0005
Onchocerca volvulus		0.0042	0.1047	1
Echinococcus multilocularis	dual specificity	0.0206	0.7556	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0023	0.028	0.0005
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.1047	0.1059
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.1047	0.1059
Mycobacterium tuberculosis	Conserved protein	0.0042	0.1047	0.0793
Trypanosoma brucei	DNA polymerase eta, putative	0.0022	0.0276	0.0366
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.1047	0.1655
Loa Loa (eye worm)	beta-lactamase	0.0042	0.1047	0.1059
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0023	0.028	0.0005
Trichomonas vaginalis	CMGC family protein kinase	0.014	0.4935	1
Trypanosoma cruzi	kinetoplastid kinetochore protein 10, putative	0.014	0.4935	0.6399
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.1047	0.1655
Echinococcus multilocularis	FTZ F1 alpha	0.0023	0.028	0.0005
Mycobacterium tuberculosis	Conserved protein	0.0042	0.1047	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1092	0.1121
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0023	0.028	0.0005
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0206	0.7556	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0023	0.028	0.0005
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0276	0.0366
Trypanosoma brucei	DNA polymerase IV, putative	0.0022	0.0276	0.0366
Plasmodium vivax	serine/threonine kinase-1, putative	0.014	0.4935	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0023	0.028	0.0005
Schistosoma mansoni	serine/threonine protein kinase	0.014	0.4935	0.6399
Brugia malayi	Nuclear hormone receptor-like 1	0.0023	0.028	0.0005
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0023	0.028	0.0005
Trichomonas vaginalis	esterase, putative	0.0042	0.1047	0.1655
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.1047	0.1059
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.1047	0.0793
Mycobacterium ulcerans	beta-lactamase	0.0042	0.1047	0.4195
Trypanosoma brucei	ubiquitin carboxyl-terminal hydrolase, putative	0.0043	0.1092	0.1446
Loa Loa (eye worm)	hypothetical protein	0.0023	0.028	0.0005
Schistosoma mansoni	retinoic acid receptor RXR	0.0023	0.028	0.0005
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0276	0.0366
Brugia malayi	Ubiquitin carboxyl-terminal hydrolase family protein	0.0043	0.1092	0.1121
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.2114	0.2524
Schistosoma mansoni	nuclear hormone receptor	0.0023	0.028	0.0005
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0023	0.028	0.0005
Schistosoma mansoni	aldehyde dehydrogenase	0.0069	0.2114	0.2524
Loa Loa (eye worm)	hypothetical protein	0.0042	0.1047	0.1059
Brugia malayi	nuclear hormone receptor	0.0023	0.028	0.0005
Echinococcus multilocularis	Peptidase C19, ubiquitin carboxyl terminal hydrolase 2	0.0043	0.1092	0.1121
Entamoeba histolytica	protein kinase, putative	0.0206	0.7556	1
Trypanosoma brucei	kinetoplastid kinetochore protein 19	0.014	0.4935	0.6531
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0023	0.028	0.0005
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0023	0.028	0.0005
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0206	0.7556	1
Echinococcus multilocularis		0.0138	0.4851	0.6284
Toxoplasma gondii	cell-cycle-associated protein kinase CLK, putative	0.014	0.4935	1
Mycobacterium ulcerans	hypothetical protein	0.0042	0.1047	0.4195
Brugia malayi	steroid hormone receptor	0.0023	0.028	0.0005
Giardia lamblia	Ubiquitin carboxyl-terminal hydrolase 4	0.0043	0.1092	0.1751
Loa Loa (eye worm)	hypothetical protein	0.0023	0.028	0.0005
Trypanosoma brucei	DNA polymerase kappa, putative	0.0022	0.0276	0.0366
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.1047	0.1059
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0069	0.2114	1
Leishmania major	protein kinase, putative	0.014	0.4935	0.6399

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: CHEMBL1808539

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 1022012