TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 498.563 | Formula: C22H24F2N2O5S2
H donors: 0 H acceptors: 4 LogP: 2.94 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: COC(=O)c1c2CCN(Cc2sc1S(=O)(=O)N1CCCCC1)C(=O)Cc1cc(F)ccc1F
InChi: 1S/C22H24F2N2O5S2/c1-31-21(28)20-16-7-10-25(19(27)12-14-11-15(23)5-6-17(14)24)13-18(16)32-22(20)33(29,30)26-8-3-2-4-9-26/h5-6,11H,2-4,7-10,12-13H2,1H3
InChiKey: PDTAXKJQEIMEGR-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	Cathepsin L-like precursor	0.0022	0.0591	0.0587
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.1651	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Entamoeba histolytica	cysteine protease, putative	0.0022	0.0591	0.4028
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0016	0.0245	0.0245
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0016	0.0245	0.0055
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0591	0.3565
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0022	0.0591	0.0591
Onchocerca volvulus		0.0022	0.0591	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0022	0.0591	0.0591
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0591	0.7749
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0762	0.0582
Onchocerca volvulus		0.0022	0.0591	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.2112	0.1958
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0591	0.0587
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0762	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0016	0.0245	0.0245
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0016	0.0245	0.0245
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0022	0.0591	0.0408
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0591	0.7749
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0762	0.4601
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0762	1
Onchocerca volvulus	Cathepsin F homolog	0.0022	0.0591	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0245	0.0245
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0762	0.1609
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0591	0.0587
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.0591	0.3565
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0591	0.4028
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0591	0.7749
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0591	0.3565
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0591	0.3565
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0022	0.0591	0.4028
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0591	0.7749
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Brugia malayi	Latrophilin receptor protein 2	0.0016	0.0245	0.0241
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.0591	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.1651	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0016	0.0245	0.0245
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0011	0.0004	0.0004
Brugia malayi	cathepsin L-like precursor	0.0015	0.0191	0.0187
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0591	0.7749
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0245	0.0055
Onchocerca volvulus		0.0022	0.0591	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0591	0.0587
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0762	0.5198
Trypanosoma cruzi	cruzipain precursor, putative	0.0022	0.0591	0.7749
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0591	0.3565
Plasmodium vivax	vivapain-2	0.0022	0.0591	0.3565
Loa Loa (eye worm)	fibroinase	0.0022	0.0591	0.0408
Echinococcus multilocularis	serine:threonine protein kinase TAO1	0.0193	1	1
Schistosoma mansoni	hypothetical protein	0.0034	0.1248	0.1248
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0191	0.0187
Echinococcus granulosus	serine:threonine protein kinase TAO1	0.0193	1	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0022	0.0591	0.4028
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Echinococcus granulosus	GPCR family 2	0.0016	0.0245	0.0245
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0041	0.1651	1
Echinococcus multilocularis	cathepsin L	0.0011	0.0004	0.0004
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0591	0.7749
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0041	0.1651	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0022	0.0591	0.0591
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0016	0.0245	0.0241
Loa Loa (eye worm)	hypothetical protein	0.0034	0.1248	0.1077
Echinococcus granulosus	cysteine protease	0.0011	0.0004	0.0004
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0591	0.0587
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Brugia malayi	Serine/threonine-protein kinase SULU	0.0193	1	1
Brugia malayi	Cathepsin L-like precursor	0.0015	0.0191	0.0187
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0015	0.0191	0.0187
Loa Loa (eye worm)	STE/STE20/TAO protein kinase	0.0193	1	1
Echinococcus granulosus	cathepsin L	0.0011	0.0004	0.0004
Onchocerca volvulus		0.0022	0.0591	1
Schistosoma mansoni	hypothetical protein	0.0016	0.0245	0.0245
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.1651	1
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.1461	1
Echinococcus granulosus	cathepsin l1	0.0022	0.0591	0.0591
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0591	0.3565
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0591	0.3565
Brugia malayi	latrophilin 2 splice variant baaae	0.0034	0.1248	0.1244
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0591	0.0591
Echinococcus multilocularis	GPCR, family 2	0.0016	0.0245	0.0245
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.005	0.2112	0.1958
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0591	0.7749
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0591	0.7749
Onchocerca volvulus	Cathepsin L homolog	0.0022	0.0591	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0022	0.0591	0.0591
Brugia malayi	Papain family cysteine protease containing protein	0.0022	0.0591	0.0587
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0591	0.3565
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0591	0.7749
Onchocerca volvulus		0.0022	0.0591	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0011	0.0004	0.0004
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.014	0.71	0.71
Schistosoma mansoni	cathepsin F (C01 family)	0.0015	0.0191	0.0191
Brugia malayi	hypothetical protein	0.0025	0.0762	0.0758
Leishmania major	hypothetical protein, conserved	0.0025	0.0762	1
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.1461	1
Loa Loa (eye worm)	ctsf protein	0.0022	0.0591	0.0408
Brugia malayi	Cathepsin L-like precursor	0.0022	0.0591	0.0587
Brugia malayi	Calcitonin receptor-like protein seb-1	0.005	0.2112	0.2109
Entamoeba histolytica	cysteine proteinase, putative	0.0022	0.0591	0.4028
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Schistosoma mansoni	hypothetical protein	0.0016	0.0245	0.0245
Loa Loa (eye worm)	cysteine protease	0.0022	0.0591	0.0408
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0591	0.7749
Schistosoma mansoni	hypothetical protein	0.0016	0.0245	0.0245
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.005	0.2112	0.2109
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0591	0.7749
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0191	0.1134
Plasmodium vivax	vivapain-2	0.0022	0.0591	0.3565
Echinococcus multilocularis	cysteine protease	0.0022	0.0591	0.0591
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0591	0.3565
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0022	0.0591	0.3565
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0022	0.0591	0.0408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0022	0.0591	0.3565
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0015	0.0191	0.2466
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.1651	0.1651
Onchocerca volvulus		0.0022	0.0591	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0591	0.7749
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0015	0.0191	0.1134
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0591	0.0408
Schistosoma mansoni	cathepsin F (C01 family)	0.0022	0.0591	0.0591
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0591	0.7749
Loa Loa (eye worm)	acetyltransferase	0.014	0.71	0.7043
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0022	0.0591	0.3565
Trypanosoma cruzi	cysteine peptidase, putative	0.0022	0.0591	0.7749
Echinococcus granulosus	cathepsin L cysteine protease	0.0011	0.0004	0.0004
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0762	0.5198
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.014	0.71	0.71
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0011	0.0004	0.0004
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0022	0.0591	0.0591
Brugia malayi	hypothetical protein	0.0016	0.0272	0.0268
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0762	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0038	0.1461	0.5
Entamoeba histolytica	cysteine proteinase, putative	0.0015	0.0191	0.1282
Onchocerca volvulus		0.0022	0.0591	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0022	0.0591	0.0591
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0022	0.0591	0.7749
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0136	0.6883	0.6883
Echinococcus multilocularis	cysteine protease	0.0022	0.0591	0.0591
Brugia malayi	acetyltransferase, GNAT family protein	0.014	0.71	0.7098
Echinococcus granulosus	cathepsin l1	0.0015	0.0191	0.0191
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0022	0.0591	0.4028
Schistosoma mansoni	serine/threonine protein kinase	0.0193	1	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

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 808266