TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 363.431 | Formula: C17H21N3O4S
H donors: 0 H acceptors: 4 LogP: 2.18 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(=O)n1nc(c(c1C)S(=O)(=O)N1CCCC1)C
InChi: 1S/C17H21N3O4S/c1-12-16(25(22,23)19-10-4-5-11-19)13(2)20(18-12)17(21)14-6-8-15(24-3)9-7-14/h6-9H,4-5,10-11H2,1-3H3
InChiKey: FCJIUYJTLFPICN-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
Toxoplasma gondii	melibiase subfamily protein	0.0107	0.3021	1
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0081	0.208	0.3098
Schistosoma mansoni	jumonji domain containing protein	0.0077	0.1936	0.1757
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0906	0.0705
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0055	0.115	0.0954
Loa Loa (eye worm)	jmjC domain-containing protein	0.0061	0.1359	0.5285
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0107	0.3021	0.2866
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0107	0.3021	0.4662
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0906	0.3524
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.2572	0.3916
Echinococcus granulosus	SAM and MBT domain containing protein	0.0049	0.0906	0.1146
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0637	0.0699
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0081	0.208	1
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0071	0.1729	0.5
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0055	0.115	0.1552
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0049	0.0906	1
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0049	0.0906	0.0705
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0097	0.2658	0.4059
Schistosoma mansoni	hypothetical protein	0.0173	0.5405	0.5303
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0107	0.3021	0.2866
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0053	0.1068	0.5
Leishmania major	hypothetical protein, conserved	0.0026	0.0086	0.5
Echinococcus multilocularis	lysine specific demethylase 5A	0.0036	0.0443	0.0375
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0053	0.1068	0.5
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0081	0.208	1
Loa Loa (eye worm)	PHD-finger family protein	0.003	0.0217	0.0843
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.2572	1
Brugia malayi	Probable ClpP-like protease	0.0081	0.208	0.7825
Brugia malayi	hypothetical protein	0.0026	0.0086	0.0325
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0055	0.115	0.1552
Brugia malayi	PHD-finger family protein	0.003	0.0217	0.0816
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0107	0.3021	0.2866
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0053	0.1068	0.1416
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0081	0.208	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0081	0.208	0.6794
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0107	0.3021	0.4662
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0443	0.0231
Brugia malayi	mbt repeat family protein	0.0049	0.0906	0.341
Loa Loa (eye worm)	hypothetical protein	0.0055	0.115	0.4472
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0053	0.1068	0.4744
Loa Loa (eye worm)	MBCTL1	0.0055	0.115	0.4472
Echinococcus granulosus	geminin	0.0173	0.5405	0.8625
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0217	0.0444
Echinococcus granulosus	peptidase Clp S14 family	0.0053	0.1068	0.1416
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.2572	0.3916
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0196	0.6231	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0107	0.3021	0.2866
Giardia lamblia	PHD finger protein 15	0.003	0.0217	0.5
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.2572	0.3916
Loa Loa (eye worm)	hypothetical protein	0.003	0.0217	0.0843
Brugia malayi	jmjC domain containing protein	0.0097	0.2658	1
Schistosoma mansoni	hypothetical protein	0.0173	0.5405	0.5303
Onchocerca volvulus		0.0049	0.0906	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0071	0.1729	0.1546
Loa Loa (eye worm)	mbt repeat family protein	0.0049	0.0906	0.3524
Brugia malayi	jmjC domain containing protein	0.0036	0.0443	0.1665
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0081	0.208	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.208	0.8087
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0049	0.0906	0.1146
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1729	0.6723
Echinococcus granulosus	polycomb protein SCMH1	0.0049	0.0906	0.1146
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0443	0.0375
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0055	0.115	0.4328
Toxoplasma gondii	hypothetical protein	0.0028	0.0155	0.0235
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0107	0.3021	0.4662
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0443	0.0231
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0086	0.0336
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0081	0.208	0.5
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0028	0.0155	0.0346
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0081	0.208	0.3098
Echinococcus multilocularis	polycomb protein SCMH1	0.0049	0.0906	0.1146
Brugia malayi	Melibiase family protein	0.0071	0.1729	0.6505
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0081	0.208	1
Echinococcus granulosus	histone acetyltransferase MYST2	0.0055	0.115	0.1552
Schistosoma mansoni	sex comb on midleg homolog	0.0049	0.0906	0.0705
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0081	0.208	0.5
Plasmodium falciparum	phd finger protein, putative	0.003	0.0217	0.0654
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0081	0.208	0.6794
Schistosoma mansoni	peptidase Clp (S14 family)	0.0081	0.208	0.1904
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.2572	0.3916
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.2572	0.2407
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0055	0.115	0.1552
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0443	0.1721
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0086	0.5
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.2572	0.9677
Brugia malayi	mbt repeat family protein	0.0049	0.0906	0.341
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0097	0.2658	0.4059
Echinococcus multilocularis	geminin	0.0173	0.5405	0.8625
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0086	0.5
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0071	0.1729	0.1546
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0983	0.3823
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0028	0.0155	0.0346
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.2572	0.2407
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0081	0.208	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0086	0.5
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0081	0.208	0.5
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0637	0.0699
Brugia malayi	Bromodomain containing protein	0.003	0.0217	0.0816
Plasmodium vivax	hypothetical protein, conserved	0.003	0.0217	0.0654
Toxoplasma gondii	PHD-finger domain-containing protein	0.003	0.0217	0.0444
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0196	0.6231	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.2572	0.2407

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 685739