TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 449.496 | Formula: C21H24FN3O5S
H donors: 1 H acceptors: 3 LogP: 2.4 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)S(=O)(=O)NC[C@@H]1OC(=O)N(C1)c1ccc(c(c1)F)N1CCOCC1
InChi: 1S/C21H24FN3O5S/c1-15-2-5-18(6-3-15)31(27,28)23-13-17-14-25(21(26)30-17)16-4-7-20(19(22)12-16)24-8-10-29-11-9-24/h2-7,12,17,23H,8-11,13-14H2,1H3/t17-/m0/s1
InChiKey: LBULDKYYFALJJD-KRWDZBQOSA-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
Schistosoma mansoni	hypothetical protein	0.0182	0.519	1
Loa Loa (eye worm)	Ulp1 protease	0.0014	0.0241	0.0241
Entamoeba histolytica	hypothetical protein	0.0039	0.097	0.743
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0241	0.1842
Loa Loa (eye worm)	Ulp1 protease	0.0014	0.0241	0.0241
Brugia malayi	hypothetical protein	0.0029	0.0693	0.0693
Echinococcus granulosus	hypothetical protein	0.0029	0.0693	0.1335
Schistosoma mansoni	hypothetical protein	0.0182	0.519	1
Echinococcus multilocularis	sentrin specific protease 8	0.0014	0.0241	0.0463
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.012	0.3371	1
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.012	0.3371	1
Trypanosoma brucei	SUMO1/Ulp2, putative	0.0014	0.0241	0.0714
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.012	0.3371	1
Trypanosoma brucei	variant surface glycoprotein (VSG), putative	0.012	0.3371	1
Entamoeba histolytica	hypothetical protein	0.0039	0.097	0.743
Loa Loa (eye worm)	flap endonuclease-1	0.0028	0.0656	0.0656
Chlamydia trachomatis	deubiquitinase/deneddylase Dub1	0.0014	0.0241	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0693	0.0693
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0014	0.0241	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0241	0.0241
Loa Loa (eye worm)	tumor suppressor	0.0345	1	1
Entamoeba histolytica	Flap nuclease, putative	0.0028	0.0656	0.5024
Brugia malayi	Flap endonuclease-1	0.0028	0.0656	0.0656
Giardia lamblia	Sentrin specific protease, putative	0.0014	0.0241	0.3667
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.012	0.3371	1
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.012	0.3371	1
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0014	0.0241	0.1842
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0014	0.0241	0.0241
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0241	0.1842
Brugia malayi	hypothetical protein	0.0039	0.097	0.097
Plasmodium vivax	sentrin-specific protease 1, putative	0.005	0.1306	1
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0014	0.0241	0.1842
Echinococcus multilocularis	sentrin specific protease 1	0.005	0.1306	0.2516
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.012	0.3371	1
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.005	0.1306	1
Echinococcus granulosus	sentrin specific protease 8	0.0014	0.0241	0.0463
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0241	0.0241
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.012	0.3371	1
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0241	0.1842
Brugia malayi	Temporarily assigned gene name protein 44	0.0029	0.0693	0.0693
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0241	0.1842
Trypanosoma brucei	calpain, putative	0.012	0.3371	1
Trypanosoma brucei	hypothetical protein	0.012	0.3371	1
Plasmodium vivax	flap endonuclease 1, putative	0.0028	0.0656	0.5024
Trichomonas vaginalis	flap endonuclease-1, putative	0.0028	0.0656	0.5024
Plasmodium falciparum	flap endonuclease 1	0.0028	0.0656	0.5024
Trypanosoma cruzi	hypothetical protein	0.0014	0.0241	0.0714
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	0.0028	0.0656	0.5024
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0241	0.1842
Schistosoma mansoni	transcription factor LCR-F1	0.0039	0.097	0.1869
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.005	0.1306	0.2516
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0039	0.097	0.1869
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.012	0.3371	1
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0241	0.1842
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0014	0.0241	0.0463
Trypanosoma cruzi	SUMO1/Ulp2, putative	0.0014	0.0241	0.0714
Trypanosoma brucei	calpain-like protein, putative	0.012	0.3371	1
Echinococcus granulosus	geminin	0.0182	0.519	1
Echinococcus granulosus	sentrin specific protease 7	0.0014	0.0241	0.0463
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0241	0.1842
Echinococcus multilocularis	sentrin specific protease 7	0.0014	0.0241	0.0463
Echinococcus granulosus	sentrin specific protease 1	0.005	0.1306	0.2516
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.012	0.3371	1
Echinococcus granulosus	flap endonuclease 1	0.0028	0.0656	0.1264
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.005	0.1306	1
Echinococcus multilocularis	geminin	0.0182	0.519	1
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0028	0.0656	0.1946
Leishmania major	SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative	0.0014	0.0241	0.0714
Trichomonas vaginalis	sentrin/sumo-specific protease, senp8, putative	0.0014	0.0241	0.1842
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.012	0.3371	1
Plasmodium falciparum	sentrin-specific protease 1	0.005	0.1306	1
Schistosoma mansoni	hypothetical protein	0.0029	0.0693	0.1335
Toxoplasma gondii	Ulp1 protease family, C-terminal catalytic domain-containing protein	0.0014	0.0241	0.1842
Entamoeba histolytica	hypothetical protein	0.0039	0.097	0.743
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0014	0.0241	0.0241
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.005	0.1306	0.2516
Onchocerca volvulus		0.0014	0.0241	0.5
Entamoeba histolytica	hypothetical protein	0.0039	0.097	0.743
Schistosoma mansoni	flap endonuclease-1	0.0025	0.0577	0.1112
Trichomonas vaginalis	Clan CE, family C48, Ulp1-like cysteine peptidase	0.0014	0.0241	0.1842
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0028	0.0656	0.1946
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C48, putative	0.0014	0.0241	0.0714
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.005	0.1306	1
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.012	0.3371	1
Giardia lamblia	Flap structure-specific endonuclease	0.0028	0.0656	1
Echinococcus granulosus	protein quaking	0.0029	0.0693	0.1335
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0014	0.0241	0.1842
Schistosoma mansoni	hypothetical protein	0.0029	0.0693	0.1335
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0014	0.0241	0.1842
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.012	0.3371	1
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0014	0.0241	0.1842
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.012	0.3371	1
Echinococcus multilocularis	flap endonuclease 1	0.0028	0.0656	0.1264
Schistosoma mansoni	family C48 unassigned peptidase (C48 family)	0.0014	0.0241	0.0463
Echinococcus multilocularis	protein quaking	0.0029	0.0693	0.1335
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.0241	0.1842
Brugia malayi	Ulp1 protease family, C-terminal catalytic domain containing protein	0.005	0.1306	0.1306
Loa Loa (eye worm)	hypothetical protein	0.005	0.1306	0.1306
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.012	0.3371	1
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0028	0.0656	0.1946
Schistosoma mansoni	hypothetical protein	0.0039	0.097	0.1869
Entamoeba histolytica	Ulp1 protease family, C-terminal catalytic domain containing protein	0.0014	0.0241	0.1842
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0039	0.097	0.1869
Plasmodium vivax	sentrin-specific protease 2, putative	0.0014	0.0241	0.1842
Trichomonas vaginalis	Sentrin-specific protease, putative	0.0014	0.0241	0.1842
Chlamydia trachomatis	deubiquitinase/deneddylase Dub2	0.0014	0.0241	0.5

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: CHEMBL1689333

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1498784