TDR Targets

Basic information

Technical information

TDR Targets ID: 864017
Name: EU-0063754
MW: 604.716 | Formula: C32H36N4O6S
H donors: 2 H acceptors: 4 LogP: 3.76 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: O=C(c1ccc(c(c1)NS(=O)(=O)c1ccc2c(c1)OCCO2)N1CC2CC(C1)c1n(C2)c(=O)ccc1)NC1CCCCC1
InChi: 1S/C32H36N4O6S/c37-31-8-4-7-27-23-15-21(19-36(27)31)18-35(20-23)28-11-9-22(32(38)33-24-5-2-1-3-6-24)16-26(28)34-43(39,40)25-10-12-29-30(17-25)42-14-13-41-29/h4,7-12,16-17,21,23-24,34H,1-3,5-6,13-15,18-20H2,(H,33,38)
InChiKey: NDIRJMKOZPHDIW-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
Onchocerca volvulus	Cathepsin F homolog	0.2119	0.2052	1
Loa Loa (eye worm)	hypothetical protein	0.2119	0.2052	0.1497
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1518	0.0653	0.117
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2119	0.2052	0.3678
Echinococcus multilocularis	cysteine protease	0.2119	0.2052	0.2052
Echinococcus multilocularis	cathepsin L cysteine protease	0.2119	0.2052	0.2052
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2119	0.2052	0.3678
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Trypanosoma cruzi	major cysteine proteinase, putative	0.2895	0.3856	0.3856
Entamoeba histolytica	cysteine proteinase, putative	0.2119	0.2052	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2119	0.2052	0.3678
Trypanosoma cruzi	cysteine peptidase, putative	0.4379	0.7307	0.7307
Trypanosoma brucei	cysteine peptidase C (CPC)	0.3635	0.5578	0.7633
Schistosoma mansoni	cathepsin F (C01 family)	0.2119	0.2052	0.2052
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.1518	0.0653	0.117
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.2119	0.2052	1
Echinococcus multilocularis	cysteine protease	0.2119	0.2052	0.2052
Loa Loa (eye worm)	cathepsin B	0.3635	0.5578	0.5269
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2119	0.2052	0.3678
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.2119	0.2052	0.1497
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4379	0.7307	1
Toxoplasma gondii	cathepsin B	0.3635	0.5578	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Echinococcus granulosus	cathepsin l1	0.2119	0.2052	0.2052
Trypanosoma cruzi	cysteine peptidase, putative	0.2119	0.2052	0.2052
Trypanosoma cruzi	cysteine peptidase, putative	0.4379	0.7307	0.7307
Plasmodium vivax	vivapain-2	0.2119	0.2052	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4379	0.7307	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.3635	0.5578	0.5578
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.3635	0.5578	1
Giardia lamblia	Cathepsin B precursor	0.3635	0.5578	0.5
Trypanosoma cruzi	cruzipain precursor, putative	0.4379	0.7307	0.7307
Brugia malayi	Cathepsin L-like precursor	0.2119	0.2052	0.2052
Giardia lamblia	Cathepsin B precursor	0.3635	0.5578	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.2119	0.2052	0.2052
Entamoeba histolytica	cysteine protease, putative	0.2119	0.2052	1
Loa Loa (eye worm)	hypothetical protein	0.5537	1	1
Loa Loa (eye worm)	fibroinase	0.2119	0.2052	0.1497
Brugia malayi	Cathepsin L-like precursor	0.2119	0.2052	0.2052
Brugia malayi	Cathepsin L-like precursor	0.2119	0.2052	0.2052
Onchocerca volvulus		0.2119	0.2052	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Onchocerca volvulus	Cathepsin L homolog	0.2119	0.2052	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.2119	0.2052	0.2052
Brugia malayi	Cathepsin L-like precursor	0.1518	0.0653	0.0653
Echinococcus multilocularis	cathepsin L cysteine protease	0.2119	0.2052	0.2052
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2119	0.2052	0.3678
Brugia malayi	Cathepsin L-like precursor	0.2119	0.2052	0.2052
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4379	0.7307	1
Brugia malayi	cathepsin L-like precursor	0.1518	0.0653	0.0653
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4379	0.7307	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2119	0.2052	0.3678
Leishmania major	cathepsin L-like protease	0.4379	0.7307	1
Schistosoma mansoni	cathepsin F (C01 family)	0.1518	0.0653	0.0653
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2119	0.2052	0.3678
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4379	0.7307	1
Leishmania major	cathepsin L-like protease	0.4379	0.7307	1
Onchocerca volvulus	Cathepsin L homolog	0.2119	0.2052	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.2119	0.2052	0.2052
Echinococcus granulosus	cathepsin b	0.5537	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.5537	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Echinococcus granulosus	cathepsin b	0.5537	1	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.5537	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.2119	0.2052	0.3678
Entamoeba histolytica	cysteine proteinase, putative	0.2119	0.2052	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4379	0.7307	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.3635	0.5578	0.5578
Onchocerca volvulus		0.2119	0.2052	1
Brugia malayi	Cathepsin L-like precursor	0.1518	0.0653	0.0653
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4379	0.7307	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.5537	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2119	0.2052	0.3678
Trypanosoma cruzi	cysteine peptidase, putative	0.4379	0.7307	0.7307
Brugia malayi	Cathepsin L-like cysteine proteinase	0.1518	0.0653	0.0653
Onchocerca volvulus		0.2119	0.2052	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4379	0.7307	1
Giardia lamblia	Cathepsin B precursor	0.3635	0.5578	0.5
Onchocerca volvulus		0.2119	0.2052	1
Onchocerca volvulus		0.2119	0.2052	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.5537	1	1
Brugia malayi	Papain family cysteine protease containing protein	0.2119	0.2052	0.2052
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4379	0.7307	1
Echinococcus multilocularis	cathepsin b	0.5537	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.5537	1	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.3778	0.5908	0.5908
Plasmodium vivax	vivapain-2	0.2119	0.2052	1
Loa Loa (eye worm)	cysteine protease	0.2119	0.2052	0.1497
Echinococcus granulosus	cathepsin l1	0.1518	0.0653	0.0653
Brugia malayi	Cathepsin L-like precursor	0.2119	0.2052	0.2052
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.2119	0.2052	0.1497
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4379	0.7307	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.3635	0.5578	0.6709
Echinococcus multilocularis	cathepsin b	0.5537	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Plasmodium falciparum	cysteine proteinase falcipain 3	0.2119	0.2052	1
Entamoeba histolytica	cysteine proteinase, putative	0.1518	0.0653	0.3182
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.2119	0.2052	1
Loa Loa (eye worm)	ctsf protein	0.2119	0.2052	0.1497
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Onchocerca volvulus		0.2119	0.2052	1
Onchocerca volvulus		0.2119	0.2052	1
Leishmania major	cathepsin L-like protease	0.4379	0.7307	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.2119	0.2052	0.3678
Brugia malayi	Cathepsin L-like precursor	0.2119	0.2052	0.2052
Schistosoma mansoni	cathepsin F (C01 family)	0.2119	0.2052	0.2052
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.2119	0.2052	0.2052
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.2119	0.2052	0.3678
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.4379	0.7307	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.2119	0.2052	0.3678

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 864017