TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 303.379 | Formula: C15H17N3O2S
H donors: 1 H acceptors: 4 LogP: 0.61 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: CS(=O)(=O)c1ccc(cc1)c1cnc(cn1)C1CCCN1
InChi: 1S/C15H17N3O2S/c1-21(19,20)12-6-4-11(5-7-12)14-9-18-15(10-17-14)13-3-2-8-16-13/h4-7,9-10,13,16H,2-3,8H2,1H3
InChiKey: PFIYRHALSYSJHF-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
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Trypanosoma cruzi	hypothetical protein, conserved	0.0159	0.1165	0.1339
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0272	0.2947	0.3672
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	0.8702	1
Schistosoma mansoni	alpha glucosidase	0.0159	0.1165	0.1352
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0159	0.1165	0.1452
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	0.8702	1
Trichomonas vaginalis	alpha-amylase, putative	0.0513	0.6773	0.8441
Toxoplasma gondii	alpha amylase, catalytic domain-containing protein	0.0272	0.2947	1
Onchocerca volvulus		0.0167	0.1281	0.1402
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	0.8702	1
Brugia malayi	Cathepsin L-like precursor	0.0111	0.0407	0.0407
Onchocerca volvulus	Cathepsin F homolog	0.0167	0.1281	0.1402
Brugia malayi	Cathepsin L-like precursor	0.0167	0.1281	0.1281
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Loa Loa (eye worm)	cysteine protease	0.0167	0.1281	0.091
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1281	0.1596
Schistosoma mansoni	alpha-glucosidase	0.0629	0.8617	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Leishmania major	cathepsin L-like protease	0.0167	0.1281	0.0153
Trichomonas vaginalis	alpha-glucosidase, putative	0.0159	0.1165	0.1452
Loa Loa (eye worm)	fibroinase	0.0167	0.1281	0.091
Entamoeba histolytica	alpha-amylase family protein	0.0592	0.8024	1
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0159	0.1165	0.1452
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.0407	0.0508
Trichomonas vaginalis	alpha-glucosidase, putative	0.0159	0.1165	0.1452
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0167	0.1281	0.091
Plasmodium vivax	vivapain-2	0.0167	0.1281	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0635	0.8702	1
Leishmania major	cathepsin L-like protease	0.0167	0.1281	0.0153
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Brugia malayi	Cathepsin L-like precursor	0.0167	0.1281	0.1281
Schistosoma mansoni	cathepsin F (C01 family)	0.0167	0.1281	0.1486
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0159	0.1165	0.1452
Brugia malayi	Cathepsin L-like precursor	0.0167	0.1281	0.1281
Leishmania major	cathepsin L-like protease	0.0167	0.1281	0.0153
Mycobacterium tuberculosis	1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme)	0.0272	0.2947	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0159	0.1165	0.1452
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0167	0.1281	0.091
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1281	0.1596
Entamoeba histolytica	oligo-1,6-glucosidase, putative	0.0129	0.0691	0.0861
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0167	0.1281	0.1281
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.058	0.7829	0.8997
Onchocerca volvulus		0.0167	0.1281	0.1402
Chlamydia trachomatis	1,4-alpha-glucan branching enzyme	0.0272	0.2947	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1281	0.1596
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	0.8702	1
Leishmania major	cathepsin L-like protease	0.0167	0.1281	0.0153
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0093	0.0108	0.0108
Toxoplasma gondii	glycosyltransferase	0.0272	0.2947	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0093	0.0108	0.0126
Entamoeba histolytica	cysteine proteinase, putative	0.0167	0.1281	0.1596
Echinococcus granulosus	alpha glucosidase	0.0129	0.0691	0.0691
Entamoeba histolytica	cysteine protease, putative	0.0167	0.1281	0.1596
Echinococcus granulosus	neutral alpha glucosidase AB	0.0159	0.1165	0.1165
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	0.8702	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1281	0.1596
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0159	0.1165	0.3724
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	0.8702	1
Echinococcus granulosus	cathepsin l1	0.0167	0.1281	0.1281
Echinococcus multilocularis	cathepsin L cysteine protease	0.0167	0.1281	0.1281
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1281	0.1596
Trichomonas vaginalis	alpha-glucosidase, putative	0.0159	0.1165	0.1452
Trypanosoma cruzi	cysteine peptidase, putative	0.0635	0.8702	1
Echinococcus granulosus	cathepsin l1	0.0111	0.0407	0.0407
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1281	0.1596
Schistosoma mansoni	hypothetical protein	0.0153	0.1069	0.1241
Trypanosoma cruzi	cysteine peptidase, putative	0.0167	0.1281	0.1472
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0093	0.0108	0.0126
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1281	0.1596
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0159	0.1165	0.1165
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1281	0.1596
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0167	0.1281	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	0.8702	1
Trichomonas vaginalis	starch branching enzyme II, putative	0.0272	0.2947	0.3672
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0093	0.0108	0.0108
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Trichomonas vaginalis	alpha-amylase, putative	0.0592	0.8024	1
Schistosoma mansoni	alpha-amylase	0.0129	0.0691	0.0802
Trypanosoma brucei	glucosidase, putative	0.0159	0.1165	0.1339
Brugia malayi	cathepsin L-like precursor	0.0111	0.0407	0.0407
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0167	0.1281	0.1281
Schistosoma mansoni	alpha-amylase	0.0129	0.0691	0.0802
Echinococcus granulosus	glucan 14 alpha branching enzyme 1	0.0272	0.2947	0.2947
Schistosoma mansoni	alpha-glucosidase	0.0629	0.8617	1
Onchocerca volvulus		0.0167	0.1281	0.1402
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0093	0.0108	0.0126
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Schistosoma mansoni	alpha-amylase	0.0129	0.0691	0.0802
Mycobacterium ulcerans	glycogen branching protein	0.0272	0.2947	1
Onchocerca volvulus		0.0504	0.6637	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0716	1	1
Echinococcus multilocularis	cysteine protease	0.0167	0.1281	0.1281
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0167	0.1281	0.1596
Leishmania major	cysteine peptidase A (CPA)	0.0167	0.1281	0.0153
Giardia lamblia	1,4-alpha-glucan branching enzyme	0.0272	0.2947	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0167	0.1281	0.1402
Trypanosoma cruzi	hypothetical protein, conserved	0.0159	0.1165	0.1339
Onchocerca volvulus		0.0167	0.1281	0.1402
Echinococcus multilocularis	alpha glucosidase	0.0129	0.0691	0.0691
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	0.8702	1
Echinococcus multilocularis	glucan (1,4 alpha), branching enzyme 1	0.0272	0.2947	0.2947
Loa Loa (eye worm)	ctsf protein	0.0167	0.1281	0.091
Onchocerca volvulus	Cathepsin L homolog	0.0167	0.1281	0.1402
Entamoeba histolytica	1,4-alpha-glucan branching enzyme, putative	0.0272	0.2947	0.3672
Trichomonas vaginalis	alpha-amylase, putative	0.0592	0.8024	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0167	0.1281	0.1281
Entamoeba histolytica	alpha-amylase family protein	0.0592	0.8024	1
Plasmodium vivax	vivapain-2	0.0167	0.1281	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0635	0.8702	1
Trichomonas vaginalis	amylase, putative	0.0272	0.2947	0.3672
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0167	0.1281	0.1596
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0159	0.1165	0.079
Entamoeba histolytica	cysteine proteinase, putative	0.0167	0.1281	0.1596
Echinococcus granulosus	geminin	0.0153	0.1069	0.1069
Loa Loa (eye worm)	hypothetical protein	0.0167	0.1281	0.091
Trichomonas vaginalis	alpha-amylase, putative	0.0592	0.8024	1
Onchocerca volvulus		0.0167	0.1281	0.1402
Mycobacterium leprae	Putative uncharacterized protein ML2045	0.0129	0.0691	0.5
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0167	0.1281	1
Brugia malayi	Alpha amylase, catalytic domain containing protein	0.0129	0.0691	0.0691
Leishmania major	cathepsin L-like protease	0.0635	0.8702	1
Trichomonas vaginalis	amylase, putative	0.0592	0.8024	1
Loa Loa (eye worm)	alpha amylase	0.0129	0.0691	0.0296
Brugia malayi	Cathepsin L-like precursor	0.0111	0.0407	0.0407
Brugia malayi	Cathepsin L-like precursor	0.0167	0.1281	0.1281
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	0.8702	1
Loa Loa (eye worm)	alpha amylase	0.0129	0.0691	0.0296
Trypanosoma cruzi	major cysteine proteinase, putative	0.0499	0.6549	0.7525
Schistosoma mansoni	starch branching enzyme II	0.0272	0.2947	0.342
Brugia malayi	Cathepsin L-like precursor	0.0167	0.1281	0.1281
Brugia malayi	1,4-alpha-glucan branching enzyme	0.0272	0.2947	0.2947
Trichomonas vaginalis	amylase, putative	0.0592	0.8024	1
Echinococcus multilocularis	geminin	0.0153	0.1069	0.1069
Trichomonas vaginalis	alpha-glucosidase, putative	0.0159	0.1165	0.1452
Leishmania major	cathepsin L-like protease	0.0635	0.8702	1
Entamoeba histolytica	cysteine proteinase, putative	0.0111	0.0407	0.0508
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Trichomonas vaginalis	alpha-amylase, putative	0.0592	0.8024	1
Onchocerca volvulus		0.0167	0.1281	0.1402
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	0.8702	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0635	0.8702	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0111	0.0407	0.0407
Echinococcus multilocularis	cathepsin L cysteine protease	0.0167	0.1281	0.1281
Schistosoma mansoni	alpha-amylase	0.0129	0.0691	0.0802
Onchocerca volvulus		0.0167	0.1281	0.1402
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0159	0.1165	0.1165
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0093	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0272	0.2947	0.2647
Toxoplasma gondii	1,4-alpha-glucan-branching enzyme	0.0272	0.2947	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0167	0.1281	0.1281
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0167	0.1281	0.1596
Echinococcus multilocularis	cysteine protease	0.0167	0.1281	0.1281
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0716	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Brugia malayi	Cathepsin L-like precursor	0.0167	0.1281	0.1281
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0159	0.1165	0.1452
Schistosoma mansoni	cathepsin F (C01 family)	0.0111	0.0407	0.0473
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0093	0.0108	0.0126
Brugia malayi	Papain family cysteine protease containing protein	0.0167	0.1281	0.1281
Schistosoma mansoni	hypothetical protein	0.0153	0.1069	0.1241
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0111	0.0407	0.0508
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0167	0.1281	1
Schistosoma mansoni	alpha-amylase	0.0129	0.0691	0.0802
Toxoplasma gondii	cathepsin CPL	0.0167	0.1281	0.413
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0635	0.8702	1
Leishmania major	cathepsin L-like protease	0.0167	0.1281	0.0153
Trichomonas vaginalis	alpha-glucosidase, putative	0.0159	0.1165	0.1452
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0159	0.1165	0.1452
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0208	0.1938	0.5528
Schistosoma mansoni	cathepsin F (C01 family)	0.0167	0.1281	0.1486
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0716	1	1
Brugia malayi	Alpha amylase, catalytic domain containing protein	0.0129	0.0691	0.0691
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0167	0.1281	0.1596
Echinococcus granulosus	lysosomal alpha glucosidase	0.0716	1	1
Leishmania major	cathepsin L-like protease	0.0635	0.8702	1

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: CHEMBL3547875

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 2075313