TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 541.575 | Formula: C24H20FN5O5S2
H donors: 2 H acceptors: 6 LogP: 2.57 Rotable bonds: 6
Rule of 5 violations (Lipinski): 2
SMILES: O=C(c1nn(c2c1N(C)S(=O)(=O)c1c2cccc1)c1ccccc1F)Nc1ccc(cc1)NS(=O)(=O)C
InChi: 1S/C24H20FN5O5S2/c1-29-23-21(24(31)26-15-11-13-16(14-12-15)28-36(2,32)33)27-30(19-9-5-4-8-18(19)25)22(23)17-7-3-6-10-20(17)37(29,34)35/h3-14,28H,1-2H3,(H,26,31)
InChiKey: DSJAMJNMOZRWFO-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
Trypanosoma cruzi	cruzipain precursor, putative	0.0144	0.2503	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0038	0.0481	1
Loa Loa (eye worm)	hypothetical protein	0.0068	0.1052	0.1202
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.0133	0.0152
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0481	0.0353
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0144	0.2503	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0481	0.0353
Trypanosoma cruzi	cysteine peptidase, putative	0.0144	0.2503	1
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0481	0.055
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0481	0.055
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0038	0.0481	0.3792
Entamoeba histolytica	cysteine proteinase, putative	0.0038	0.0481	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Echinococcus multilocularis	cathepsin L cysteine protease	0.0038	0.0481	0.3792
Entamoeba histolytica	cysteine proteinase, putative	0.0038	0.0481	1
Onchocerca volvulus		0.0038	0.0481	0.0244
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0481	0.0353
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Brugia malayi	Papain family cysteine protease containing protein	0.0038	0.0481	0.055
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0481	0.0353
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0038	0.0481	0.055
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Plasmodium vivax	vivapain-3	0.0019	0.0133	0.1261
Onchocerca volvulus		0.0038	0.0481	0.0244
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Onchocerca volvulus		0.0068	0.1052	0.0829
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0244	0.0112
Onchocerca volvulus		0.0038	0.0481	0.0244
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0481	0.055
Trypanosoma cruzi	cysteine protease, putative	0.0019	0.0133	0.053
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0481	0.0353
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Echinococcus multilocularis	cysteine protease	0.0038	0.0481	0.3792
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0144	0.2503	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0038	0.0481	0.1924
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0038	0.0481	1
Onchocerca volvulus	Cathepsin F homolog	0.0038	0.0481	0.0244
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Trypanosoma cruzi	cysteine peptidase, putative	0.0144	0.2503	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0473	0.8757	1
Loa Loa (eye worm)	cysteine protease	0.0038	0.0481	0.055
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0481	0.055
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0481	0.0353
Leishmania major	cathepsin L-like protease	0.0144	0.2503	1
Brugia malayi	MH2 domain containing protein	0.0135	0.2326	0.2657
Onchocerca volvulus		0.0038	0.0481	0.0244
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0065	0.1005	0.9484
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0038	0.0481	0.055
Trypanosoma cruzi	cysteine peptidase, putative	0.0144	0.2503	1
Loa Loa (eye worm)	ctsf protein	0.0038	0.0481	0.055
Plasmodium vivax	vivapain-2	0.0038	0.0481	0.4575
Trypanosoma cruzi	cysteine proteinase, putative	0.0019	0.0133	0.053
Loa Loa (eye worm)	transcription factor SMAD2	0.0135	0.2326	0.2657
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0038	0.0481	0.3792
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0144	0.2503	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0038	0.0481	0.0353
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0025	0.0244	0.0112
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Echinococcus granulosus	histone lysine methyltransferase setb	0.0068	0.1052	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0132	0.2265	0.905
Onchocerca volvulus	Cathepsin L homolog	0.0038	0.0481	0.0244
Onchocerca volvulus		0.0038	0.0481	0.0244
Onchocerca volvulus		0.0038	0.0481	0.0244
Brugia malayi	cathepsin L-like precursor	0.0025	0.0244	0.0278
Schistosoma mansoni	cathepsin F (C01 family)	0.0025	0.0244	0.2316
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0244	0.0278
Plasmodium vivax	SET domain protein, putative	0.0068	0.1052	1
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0481	0.055
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0481	0.055
Entamoeba histolytica	cysteine protease, putative	0.0038	0.0481	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0068	0.1052	1
Brugia malayi	Pre-SET motif family protein	0.0473	0.8757	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0244	0.0278
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.0133	0.0152
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0144	0.2503	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.1052	1
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0244	0.0278
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0038	0.0481	0.0353
Echinococcus granulosus	cathepsin l1	0.0025	0.0244	0.1207
Brugia malayi	Cathepsin L-like precursor	0.0025	0.0244	0.0278
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0025	0.0244	0.0278
Trypanosoma cruzi	cysteine proteinase, putative	0.0019	0.0133	0.053
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Trypanosoma cruzi	cysteine peptidase, putative	0.0019	0.0133	0.053
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.1052	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0144	0.2503	1
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0068	0.1052	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0038	0.0481	1
Entamoeba histolytica	cysteine proteinase, putative	0.0025	0.0244	0.3182
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0481	0.0353
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0144	0.2503	1
Loa Loa (eye worm)	fibroinase	0.0038	0.0481	0.055
Leishmania major	cathepsin L-like protease	0.0144	0.2503	1
Brugia malayi	Cathepsin L-like precursor	0.0038	0.0481	0.055
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0481	0.0353
Loa Loa (eye worm)	MH2 domain-containing protein	0.0135	0.2326	0.2657
Trypanosoma cruzi	major cysteine proteinase, putative	0.0113	0.1916	0.7656
Echinococcus multilocularis	cathepsin L cysteine protease	0.0038	0.0481	0.3792
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0144	0.2503	1
Brugia malayi	Pre-SET motif family protein	0.0068	0.1052	0.1202
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Echinococcus granulosus	cathepsin l1	0.0038	0.0481	0.3792
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0038	0.0481	0.3792
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0038	0.0481	0.3792
Plasmodium vivax	unspecified product	0.0019	0.0133	0.1261
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0144	0.2503	1
Echinococcus multilocularis	cysteine protease	0.0038	0.0481	0.3792
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0038	0.0481	0.0353
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0144	0.2503	1
Onchocerca volvulus		0.0038	0.0481	0.0244
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0019	0.0133	0.1261
Plasmodium vivax	vivapain-2	0.0038	0.0481	0.4575
Schistosoma mansoni	cathepsin F (C01 family)	0.0038	0.0481	0.4575
Onchocerca volvulus	Cathepsin L homolog	0.0038	0.0481	0.0244
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0068	0.1052	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0019	0.0133	0.1261
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0019	0.0133	0.053
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0019	0.0133	0.1261
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0068	0.1052	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0144	0.2503	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0038	0.0481	0.0353
Plasmodium vivax	vivapain-1	0.0019	0.0133	0.1261
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0068	0.1052	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0144	0.2503	1
Leishmania major	cathepsin L-like protease	0.0144	0.2503	1
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0244	0.0278
Schistosoma mansoni	cathepsin F (C01 family)	0.0038	0.0481	0.4575

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: CHEMBL2326939

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 1726762