TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 445.575 | Formula: C23H31N3O4S
H donors: 1 H acceptors: 4 LogP: 2.24 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCCS(=O)(=O)NCc1c(C)ncc2c1CCN(C2)C(=O)CCc1cccc(c1)OC
InChi: 1S/C23H31N3O4S/c1-4-12-31(28,29)25-15-22-17(2)24-14-19-16-26(11-10-21(19)22)23(27)9-8-18-6-5-7-20(13-18)30-3/h5-7,13-14,25H,4,8-12,15-16H2,1-3H3
InChiKey: LHKFIZOALNIXBU-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	Pepsin A precursor	0.0157	0.0445	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0223	0.0714	0.0714
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0109	0.0109
Schistosoma mansoni	hypothetical protein	0.0378	0.1339	0.4033
Echinococcus multilocularis	tissue type plasminogen activator	0.0378	0.1339	1
Onchocerca volvulus		0.0223	0.0714	0.5178
Toxoplasma gondii	aspartyl protease	0.0157	0.0445	0.1028
Onchocerca volvulus		0.0074	0.0109	0.0519
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.2518	1	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0445	0.1285
Trypanosoma cruzi	hypothetical protein, conserved	0.0378	0.1339	1
Onchocerca volvulus		0.0089	0.0169	0.0978
Onchocerca volvulus		0.0378	0.1339	1
Echinococcus granulosus	integrin beta 2	0.0228	0.0733	0.533
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0274	0.0921	0.5
Brugia malayi	aspartic protease BmAsp-2, identical	0.0157	0.0445	0.0445
Schistosoma mansoni	cathepsin D (A01 family)	0.0858	0.3282	1
Trypanosoma brucei	prolyl endopeptidase	0.0128	0.033	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.033	0.033
Echinococcus multilocularis	integrin alpha ps	0.0067	0.0083	0.032
Echinococcus multilocularis	integrin alpha 3	0.0115	0.0277	0.1811
Onchocerca volvulus		0.0074	0.0109	0.0519
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0157	0.0445	0.0445
Schistosoma mansoni	cercarial elastase (S01 family)	0.0135	0.0356	0.1011
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0157	0.0445	0.0445
Brugia malayi	hypothetical protein	0.0157	0.0445	0.0445
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0445	0.1285
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0135	0.0356	0.1011
Brugia malayi	PAN domain containing protein	0.0074	0.0109	0.0109
Echinococcus multilocularis	Mastin	0.0135	0.0356	0.2418
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0157	0.0445	0.1028
Trypanosoma cruzi	prolyl endopeptidase	0.0128	0.033	0.2366
Schistosoma mansoni	hypothetical protein	0.0135	0.0356	0.1011
Schistosoma mansoni	cercarial elastase (S01 family)	0.0135	0.0356	0.1011
Plasmodium falciparum	plasmepsin IV	0.0274	0.0921	0.1338
Echinococcus multilocularis	glycoprotein Antigen 5	0.0135	0.0356	0.2418
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0135	0.0356	0.2418
Brugia malayi	hypothetical protein	0.0135	0.0356	0.0356
Brugia malayi	PAN domain containing protein	0.0074	0.0109	0.0109
Plasmodium falciparum	plasmepsin VI	0.0274	0.0921	0.1338
Echinococcus multilocularis	integrin beta 2	0.0228	0.0733	0.533
Schistosoma mansoni	integrin alpha	0.015	0.0419	0.1205
Echinococcus multilocularis	family C2 unassigned peptidase (C02 family)	0.0059	0.0049	0.0057
Mycobacterium leprae	PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B)	0.0051	0.0017	0.5
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0356	0.0356
Echinococcus granulosus	transmembrane protease serine 3	0.0135	0.0356	0.2418
Loa Loa (eye worm)	hypothetical protein	0.0223	0.0714	0.0714
Schistosoma mansoni	cathepsin D (A01 family)	0.0858	0.3282	1
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0274	0.0921	0.6778
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0356	0.0356
Onchocerca volvulus		0.0157	0.0445	0.3105
Brugia malayi	Cell death protein 3 precursor	0.0057	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0109	0.0109
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0274	0.0921	0.2489
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0135	0.0356	0.2418
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0445	0.1285
Loa Loa (eye worm)	PAN domain-containing protein	0.0074	0.0109	0.0109
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0223	0.0714	0.2111
Plasmodium vivax	plasmepsin V, putative	0.1037	0.4007	1
Brugia malayi	Trypsin-like protease protein 5	0.0135	0.0356	0.0356
Brugia malayi	Protein kinase domain containing protein	0.0378	0.1339	0.1339
Loa Loa (eye worm)	hypothetical protein	0.0274	0.0921	0.0921
Toxoplasma gondii	aspartyl protease ASP5	0.088	0.3373	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0445	0.1285
Loa Loa (eye worm)	PAN domain-containing protein	0.0074	0.0109	0.0109
Plasmodium vivax	aspartyl protease, putative	0.0399	0.1426	0.2755
Plasmodium falciparum	plasmepsin V	0.1037	0.4007	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0135	0.0356	0.1011
Onchocerca volvulus		0.0074	0.0109	0.0519
Toxoplasma gondii	aspartyl protease ASP3	0.0399	0.1426	0.4035
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0135	0.0356	0.1011
Leishmania major	prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative	0.0128	0.033	0.2366
Schistosoma mansoni	cercarial elastase (S01 family)	0.0135	0.0356	0.1011
Loa Loa (eye worm)	PAN domain-containing protein	0.0074	0.0109	0.0109
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0378	0.1339	0.2512
Loa Loa (eye worm)	calpain family protein 1	0.0053	0.0026	0.0026
Brugia malayi	Integrin beta pat-3 precursor	0.0308	0.1056	0.1056
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0445	0.1285
Brugia malayi	PAN domain containing protein	0.0074	0.0109	0.0109
Brugia malayi	PAN domain containing protein	0.0074	0.0109	0.0109
Brugia malayi	calpain family protein 1	0.0053	0.0026	0.0026
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0135	0.0356	0.0356
Echinococcus granulosus	family C2 unassigned peptidase C02 family	0.0059	0.0049	0.0057
Schistosoma mansoni	cercarial elastase (S01 family)	0.0135	0.0356	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0109	0.0109
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0128	0.033	0.0933
Onchocerca volvulus		0.0074	0.0109	0.0519
Echinococcus multilocularis	transmembrane protease serine 3	0.0135	0.0356	0.2418
Leishmania major	hypothetical protein, conserved	0.0378	0.1339	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0223	0.0714	0.2111
Echinococcus granulosus	enteropeptidase	0.0135	0.0356	0.2418
Echinococcus granulosus	prolyl endopeptidase	0.0128	0.033	0.2222
Plasmodium vivax	aspartyl proteinase, putative	0.0274	0.0921	0.1338
Plasmodium falciparum	plasmepsin IX	0.0399	0.1426	0.2755
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0288	0.0288
Echinococcus granulosus	tissue type plasminogen activator	0.0378	0.1339	1
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0109	0.0109
Echinococcus multilocularis	calpain A	0.0059	0.005	0.0064
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0135	0.0356	0.1011
Onchocerca volvulus		0.0074	0.0109	0.0519
Schistosoma mansoni	hypothetical protein	0.0135	0.0356	0.1011
Onchocerca volvulus	Prolyl endopeptidase homolog	0.0128	0.033	0.2222
Plasmodium vivax	aspartyl protease, putative	0.0399	0.1426	0.2755
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0135	0.0356	0.1011
Schistosoma mansoni	cercarial elastase (S01 family)	0.0135	0.0356	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0146	0.0146
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0274	0.0921	0.6778
Onchocerca volvulus		0.0135	0.0356	0.2418
Brugia malayi	PAN domain containing protein	0.0074	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0109	0.0109
Brugia malayi	Trypsin family protein	0.0135	0.0356	0.0356
Onchocerca volvulus		0.0074	0.0109	0.0519
Plasmodium falciparum	plasmepsin II	0.0274	0.0921	0.1338
Echinococcus granulosus	Mastin	0.0135	0.0356	0.2418
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0445	0.0445
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0135	0.0356	0.2418
Schistosoma mansoni	cercarial elastase (S01 family)	0.0135	0.0356	0.1011
Toxoplasma gondii	prolyl endopeptidase	0.0128	0.033	0.0677
Toxoplasma gondii	kringle domain-containing protein	0.0378	0.1339	0.377
Schistosoma mansoni	integrin alpha-ps	0.0067	0.0083	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0057	0.0042	0.0042
Loa Loa (eye worm)	integrin alpha pat-2	0.0232	0.0748	0.0748
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0135	0.0356	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0109	0.0109
Onchocerca volvulus		0.0135	0.0356	0.2418
Plasmodium vivax	plasmepsin IV, putative	0.0274	0.0921	0.1338
Brugia malayi	Trypsin family protein	0.0135	0.0356	0.0356
Brugia malayi	prolyl oligopeptidase family protein	0.0128	0.033	0.033
Loa Loa (eye worm)	hypothetical protein	0.0378	0.1339	0.1339
Onchocerca volvulus		0.0135	0.0356	0.2418
Loa Loa (eye worm)	integrin beta-2	0.0308	0.1056	0.1056
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0135	0.0356	0.2418
Loa Loa (eye worm)	TK/ROR protein kinase	0.0378	0.1339	0.1339
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0356	0.0356
Loa Loa (eye worm)	PAN domain-containing protein	0.0074	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0002	0.0002
Brugia malayi	Trypsin family protein	0.0135	0.0356	0.0356
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0445	0.1285
Schistosoma mansoni	caspase-7 (C14 family)	0.0057	0.0042	0.0047
Schistosoma mansoni	cercarial elastase (S01 family)	0.0135	0.0356	0.1011
Brugia malayi	PAN domain containing protein	0.0074	0.0109	0.0109
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0059	0.0049	0.007
Brugia malayi	Integrin alpha pat-2 precursor	0.015	0.0419	0.0419
Loa Loa (eye worm)	aspartyl protease 6	0.0157	0.0445	0.0445
Echinococcus multilocularis	integrin alpha ps	0.0067	0.0083	0.032
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0059	0.0049	0.007
Onchocerca volvulus		0.0074	0.0109	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0356	0.0356
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0274	0.0921	0.2748
Brugia malayi	PAN domain containing protein	0.0074	0.0109	0.0109
Brugia malayi	PAN domain containing protein	0.0074	0.0109	0.0109
Mycobacterium tuberculosis	Probable protease II PtrBa [first part] (oligopeptidase B)	0.0115	0.0276	1
Echinococcus multilocularis	prolyl endopeptidase	0.0128	0.033	0.2222
Brugia malayi	aspartic protease BmAsp-1, identical	0.0157	0.0445	0.0445
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0356	0.0356
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0114	0.0271	0.0271
Echinococcus granulosus	calpain A	0.0059	0.005	0.0064
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0135	0.0356	0.1011
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0445	0.0445
Onchocerca volvulus		0.0074	0.0109	0.0519
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0445	0.1285
Onchocerca volvulus		0.0074	0.0109	0.0519
Schistosoma mansoni	integrin beta subunit	0.0181	0.0544	0.159
Schistosoma mansoni	cercarial elastase (S01 family)	0.0135	0.0356	0.1011
Schistosoma mansoni	prolyl oligopeptidase (S09 family)	0.0128	0.033	0.0933
Brugia malayi	Kringle domain containing protein	0.0378	0.1339	0.1339
Loa Loa (eye worm)	PAN domain-containing protein	0.0074	0.0109	0.0109
Toxoplasma gondii	aspartyl protease ASP1	0.0274	0.0921	0.2489
Brugia malayi	calpain family protein 1	0.0053	0.0026	0.0026
Onchocerca volvulus		0.0135	0.0356	0.2418
Onchocerca volvulus		0.0135	0.0356	0.2418
Plasmodium falciparum	plasmepsin X	0.0399	0.1426	0.2755
Plasmodium falciparum	cysteine repeat modular protein 1	0.0378	0.1339	0.2512
Loa Loa (eye worm)	trypsin family protein	0.0135	0.0356	0.0356
Echinococcus granulosus	integrin alpha ps	0.0067	0.0083	0.032
Schistosoma mansoni	memapsin-2 (A01 family)	0.0157	0.0445	0.1285
Onchocerca volvulus		0.0074	0.0109	0.0519
Echinococcus granulosus	integrin alpha 3	0.0115	0.0277	0.1811
Schistosoma mansoni	cercarial elastase (S01 family)	0.0135	0.0356	0.1011
Brugia malayi	PAN domain containing protein	0.0074	0.0109	0.0109
Plasmodium falciparum	plasmepsin I	0.0274	0.0921	0.1338
Echinococcus multilocularis	enteropeptidase	0.0135	0.0356	0.2418
Brugia malayi	hypothetical protein	0.0157	0.0445	0.0445
Onchocerca volvulus		0.0157	0.0445	0.3105
Brugia malayi	Trypsin family protein	0.0223	0.0714	0.0714
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0274	0.0921	0.0921
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0445	0.1285
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0026	0.0026
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0271	0.0271
Mycobacterium ulcerans	hypothetical protein	0.0135	0.0356	1
Onchocerca volvulus		0.0074	0.0109	0.0519
Brugia malayi	PAN domain containing protein	0.0074	0.0109	0.0109
Schistosoma mansoni	cercarial elastase (S01 family)	0.0135	0.0356	0.1011
Echinococcus granulosus	glycoprotein Antigen 5	0.0135	0.0356	0.2418

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

Search by Saint Jude

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 821041