TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 457.547 | Formula: C25H23N5O2S
H donors: 1 H acceptors: 5 LogP: 1.91 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Cc1cscc1)NCc1c(C)ncc2c1CCN(C2)C(=O)c1ccc2c(c1)nccn2
InChi: 1S/C25H23N5O2S/c1-16-21(13-29-24(31)10-17-5-9-33-15-17)20-4-8-30(14-19(20)12-28-16)25(32)18-2-3-22-23(11-18)27-7-6-26-22/h2-3,5-7,9,11-12,15H,4,8,10,13-14H2,1H3,(H,29,31)
InChiKey: SKODOJTYJGKTFW-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
Loa Loa (eye worm)	hypothetical protein	0.0128	0.031	0.031
Schistosoma mansoni	hypothetical protein	0.0128	0.031	0.0931
Brugia malayi	PAN domain containing protein	0.0074	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0427	0.0427
Brugia malayi	PAN domain containing protein	0.0074	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0114	0.025	0.025
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0059	0.0023	0.007
Plasmodium falciparum	plasmepsin VI	0.0274	0.0914	0.1338
Echinococcus multilocularis	glycoprotein Antigen 5	0.0128	0.031	0.2181
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.031	0.0931
Toxoplasma gondii	aspartyl protease ASP1	0.0274	0.0914	0.2491
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0128	0.031	0.2181
Schistosoma mansoni	integrin beta subunit	0.0181	0.0529	0.159
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0377	0.1336	0.2498
Brugia malayi	PAN domain containing protein	0.0074	0.0083	0.0083
Onchocerca volvulus		0.0157	0.0427	0.2745
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0083
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0157	0.0427	0.0427
Schistosoma mansoni	memapsin-2 (A01 family)	0.0157	0.0427	0.1285
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0427	0.0427
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0217	0.0676	0.2031
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0274	0.0914	0.2748
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0083
Echinococcus granulosus	enteropeptidase	0.0128	0.031	0.2181
Brugia malayi	PAN domain containing protein	0.0074	0.0083	0.0083
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.031	0.0931
Onchocerca volvulus		0.0157	0.0427	0.2745
Loa Loa (eye worm)	PAN domain-containing protein	0.0074	0.0083	0.0083
Onchocerca volvulus		0.0377	0.1336	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.031	0.0931
Brugia malayi	hypothetical protein	0.0128	0.031	0.031
Plasmodium falciparum	plasmepsin IX	0.0399	0.143	0.2755
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.031	0.0931
Echinococcus multilocularis	transmembrane protease serine 3	0.0128	0.031	0.2181
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.031	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0083
Brugia malayi	aspartic protease BmAsp-1, identical	0.0157	0.0427	0.0427
Plasmodium falciparum	plasmepsin II	0.0274	0.0914	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0128	0.031	0.031
Brugia malayi	aspartic protease BmAsp-2, identical	0.0157	0.0427	0.0427
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0274	0.0914	0.2491
Onchocerca volvulus		0.0128	0.031	0.1806
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0083
Loa Loa (eye worm)	PAN domain-containing protein	0.0074	0.0083	0.0083
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.031	0.0931
Brugia malayi	Trypsin family protein	0.0128	0.031	0.031
Loa Loa (eye worm)	PAN domain-containing protein	0.0074	0.0083	0.0083
Plasmodium falciparum	plasmepsin IV	0.0274	0.0914	0.1338
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0122	0.0122
Plasmodium falciparum	plasmepsin X	0.0399	0.143	0.2755
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.031	0.0931
Schistosoma mansoni	integrin alpha-ps	0.0067	0.0058	0.0175
Schistosoma mansoni	hypothetical protein	0.0128	0.031	0.0931
Echinococcus granulosus	Mastin	0.0128	0.031	0.2181
Onchocerca volvulus		0.0128	0.031	0.1806
Loa Loa (eye worm)	integrin alpha pat-2	0.0232	0.0737	0.0737
Brugia malayi	Integrin alpha cytoplasmic region family protein	0.0114	0.025	0.025
Toxoplasma gondii	kringle domain-containing protein	0.0377	0.1336	0.3756
Brugia malayi	Trypsin-like protease protein 5	0.0128	0.031	0.031
Onchocerca volvulus		0.0128	0.031	0.1806
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0427	0.1285
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0128	0.031	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0128	0.031	0.031
Echinococcus multilocularis	tissue type plasminogen activator	0.0377	0.1336	1
Loa Loa (eye worm)	trypsin family protein	0.0128	0.031	0.031
Brugia malayi	Kringle domain containing protein	0.0377	0.1336	0.1336
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.031	0.0931
Loa Loa (eye worm)	integrin beta-2	0.0308	0.1052	0.1052
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.031	0.0931
Echinococcus multilocularis	integrin alpha 3	0.0115	0.0256	0.1771
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.031	0.0931
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0274	0.0914	0.6785
Loa Loa (eye worm)	PAN domain-containing protein	0.0074	0.0083	0.0083
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0427	0.1285
Brugia malayi	Integrin alpha pat-2 precursor	0.015	0.0401	0.0401
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0128	0.031	0.031
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0083
Plasmodium falciparum	plasmepsin V	0.1037	0.4066	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.031	0.031
Trypanosoma cruzi	hypothetical protein, conserved	0.0377	0.1336	0.5
Loa Loa (eye worm)	hypothetical protein	0.0274	0.0914	0.0914
Brugia malayi	Trypsin family protein	0.0217	0.0676	0.0676
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0157	0.0427	0.0427
Schistosoma mansoni	family C2 unassigned peptidase (C02 family)	0.0059	0.0023	0.007
Plasmodium vivax	plasmepsin IV, putative	0.0274	0.0914	0.1338
Onchocerca volvulus		0.0128	0.031	0.1806
Brugia malayi	Trypsin family protein	0.0128	0.031	0.031
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0157	0.0427	0.1031
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0676	0.0676
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0274	0.0914	0.6785
Schistosoma mansoni	cathepsin D (A01 family)	0.0858	0.3326	1
Onchocerca volvulus		0.0128	0.031	0.1806
Echinococcus granulosus	tissue type plasminogen activator	0.0377	0.1336	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.031	0.0931
Brugia malayi	PAN domain containing protein	0.0074	0.0083	0.0083
Toxoplasma gondii	aspartyl protease ASP3	0.0399	0.143	0.4037
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.031	0.0931
Echinococcus granulosus	transmembrane protease serine 3	0.0128	0.031	0.2181
Loa Loa (eye worm)	PAN domain-containing protein	0.0074	0.0083	0.0083
Plasmodium vivax	aspartyl protease, putative	0.0399	0.143	0.2755
Plasmodium vivax	plasmepsin V, putative	0.1037	0.4066	1
Loa Loa (eye worm)	aspartyl protease 6	0.0157	0.0427	0.0427
Toxoplasma gondii	aspartyl protease ASP5	0.088	0.3419	1
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0128	0.031	0.0931
Loa Loa (eye worm)	hypothetical protein	0.0118	0.0267	0.0267
Echinococcus multilocularis	enteropeptidase	0.0128	0.031	0.2181
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0427	0.1285
Echinococcus multilocularis	calpain A	0.0059	0.0024	0.0007
Brugia malayi	Integrin beta pat-3 precursor	0.0308	0.1052	0.1052
Loa Loa (eye worm)	TK/ROR protein kinase	0.0377	0.1336	0.1336
Brugia malayi	PAN domain containing protein	0.0074	0.0083	0.0083
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0274	0.0914	0.5
Plasmodium vivax	aspartyl protease, putative	0.0399	0.143	0.2755
Mycobacterium ulcerans	hypothetical protein	0.0128	0.031	0.5
Loa Loa (eye worm)	hypothetical protein	0.0217	0.0676	0.0676
Brugia malayi	PAN domain containing protein	0.0074	0.0083	0.0083
Loa Loa (eye worm)	hypothetical protein	0.0128	0.031	0.031
Echinococcus multilocularis	integrin alpha ps	0.0067	0.0058	0.0265
Loa Loa (eye worm)	hypothetical protein	0.0377	0.1336	0.1336
Plasmodium falciparum	plasmepsin I	0.0274	0.0914	0.1338
Brugia malayi	Pepsin A precursor	0.0157	0.0427	0.0427
Schistosoma mansoni	hypothetical protein	0.0377	0.1336	0.4017
Brugia malayi	Protein kinase domain containing protein	0.0377	0.1336	0.1336
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0083	0.0083
Echinococcus granulosus	integrin beta 2	0.0228	0.0722	0.5324
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0427	0.1285
Echinococcus multilocularis	integrin alpha ps	0.0067	0.0058	0.0265
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.2473	1	1
Onchocerca volvulus		0.0217	0.0676	0.4726
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0427	0.1285
Leishmania major	hypothetical protein, conserved	0.0377	0.1336	0.5
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0217	0.0676	0.2031
Brugia malayi	PAN domain containing protein	0.0074	0.0083	0.0083
Plasmodium falciparum	cysteine repeat modular protein 1	0.0377	0.1336	0.2498
Brugia malayi	hypothetical protein	0.0157	0.0427	0.0427
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0427	0.1285
Brugia malayi	hypothetical protein	0.0157	0.0427	0.0427
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0427	0.1285
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.031	0.0931
Toxoplasma gondii	aspartyl protease	0.0157	0.0427	0.1031
Echinococcus granulosus	integrin alpha ps	0.0067	0.0058	0.0265
Brugia malayi	PAN domain containing protein	0.0074	0.0083	0.0083
Brugia malayi	PAN domain containing protein	0.0074	0.0083	0.0083
Echinococcus granulosus	integrin alpha 3	0.0115	0.0256	0.1771
Schistosoma mansoni	cathepsin D (A01 family)	0.0858	0.3326	1
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0274	0.0914	0.0914
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.031	0.0931
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.031	0.0931
Onchocerca volvulus		0.0089	0.0145	0.0495
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0157	0.0427	0.1285
Echinococcus multilocularis	Mastin	0.0128	0.031	0.2181
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0128	0.031	0.0931
Echinococcus granulosus	calpain A	0.0059	0.0024	0.0007
Schistosoma mansoni	cercarial elastase (S01 family)	0.0128	0.031	0.0931
Schistosoma mansoni	integrin alpha	0.015	0.0401	0.1205
Echinococcus multilocularis	integrin beta 2	0.0228	0.0722	0.5324
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0128	0.031	0.2181
Plasmodium vivax	aspartyl proteinase, putative	0.0274	0.0914	0.1338
Echinococcus granulosus	glycoprotein Antigen 5	0.0128	0.031	0.2181
Brugia malayi	Trypsin family protein	0.0128	0.031	0.031

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 821042