TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 499.712 | Formula: C27H41N5O2S
H donors: 1 H acceptors: 3 LogP: 4.35 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1cccc(c1O)CN1CCC(CC1)c1nnc(n1CC=C)SCCN1CCCCCC1
InChi: 1S/C27H41N5O2S/c1-3-14-32-26(28-29-27(32)35-20-19-30-15-7-5-6-8-16-30)22-12-17-31(18-13-22)21-23-10-9-11-24(25(23)33)34-4-2/h3,9-11,22,33H,1,4-8,12-21H2,2H3
InChiKey: RDRDDAUSVPPSAL-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
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0349	0.111	0.111
Onchocerca volvulus		0.0068	0.0082	0.0742
Leishmania major	cysteine peptidase A (CPA)	0.0068	0.0082	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.0082	0.0298
Loa Loa (eye worm)	cysteine protease	0.0068	0.0082	0.0298
Toxoplasma gondii	eukaryotic aspartyl protease superfamily protein	0.0349	0.111	0.3832
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Entamoeba histolytica	cysteine proteinase, putative	0.0068	0.0082	1
Brugia malayi	Cathepsin L-like precursor	0.0068	0.0082	0.0742
Loa Loa (eye worm)	aspartic protease BmAsp-1	0.0349	0.111	0.4016
Entamoeba histolytica	cysteine protease, putative	0.0068	0.0082	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0068	0.0082	0.0298
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.0082	0.0298
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0068	0.0082	0.0298
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Entamoeba histolytica	cysteine proteinase, putative	0.0068	0.0082	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.0082	0.0298
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0068	0.0082	0.0298
Trichomonas vaginalis	Clan AA, family A1, cathepsin D-like aspartic peptidase	0.0802	0.2763	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0082	0.5
Schistosoma mansoni	cathepsin D (A01 family)	0.2242	0.8023	0.8023
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.0082	0.0298
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0349	0.111	0.111
Plasmodium vivax	aspartyl protease, putative	0.0513	0.1707	0.4322
Toxoplasma gondii	aspartyl protease ASP3	0.0513	0.1707	0.6058
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0349	0.111	0.111
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.0082	0.0298
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Plasmodium falciparum	plasmepsin VIII, putative	0.0349	0.111	0.2734
Toxoplasma gondii	aspartyl protease ASP5	0.0747	0.2563	0.9254
Plasmodium falciparum	plasmepsin X	0.0513	0.1707	0.4322
Plasmodium falciparum	plasmepsin VII	0.0349	0.111	0.2734
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Brugia malayi	Eukaryotic aspartyl protease family protein	0.0349	0.111	1
Toxoplasma gondii	aspartyl protease ASP1	0.0802	0.2763	1
Plasmodium falciparum	plasmepsin VI	0.0802	0.2763	0.7135
Onchocerca volvulus		0.0068	0.0082	0.0742
Plasmodium falciparum	plasmepsin IX	0.0513	0.1707	0.4322
Brugia malayi	aspartic protease BmAsp-2, identical	0.0349	0.111	1
Onchocerca volvulus	Cathepsin F homolog	0.0068	0.0082	0.0742
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0082	0.5
Brugia malayi	Pepsin A precursor	0.0349	0.111	1
Plasmodium falciparum	plasmepsin III	0.0349	0.111	0.2734
Leishmania major	cathepsin L-like protease	0.0068	0.0082	0.5
Trypanosoma cruzi	cruzipain precursor, putative	0.0068	0.0082	1
Toxoplasma gondii	aspartyl proteinase (eimepsin), putative	0.0802	0.2763	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.0082	0.0298
Plasmodium falciparum	plasmepsin I	0.0802	0.2763	0.7135
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Plasmodium falciparum	plasmepsin V	0.1097	0.384	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0802	0.2763	0.2763
Schistosoma mansoni	cathepsin D (A01 family)	0.2242	0.8023	0.8023
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.0082	0.0298
Plasmodium vivax	aspartyl protease, putative	0.0349	0.111	0.2734
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0082	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.0082	0.0298
Onchocerca volvulus		0.0349	0.111	1
Plasmodium vivax	plasmepsin V, putative	0.1097	0.384	1
Plasmodium vivax	aspartyl protease, putative	0.0513	0.1707	0.4322
Loa Loa (eye worm)	hypothetical protein	0.0349	0.111	0.4016
Loa Loa (eye worm)	ctsf protein	0.0068	0.0082	0.0298
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0082	0.5
Loa Loa (eye worm)	hypothetical protein	0.0802	0.2763	1
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0349	0.111	0.111
Brugia malayi	aspartic protease BmAsp-1, identical	0.0349	0.111	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.0082	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0068	0.0082	0.0298
Onchocerca volvulus	Cathepsin L homolog	0.0068	0.0082	0.0742
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0082	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.0082	1
Loa Loa (eye worm)	fibroinase	0.0068	0.0082	0.0298
Plasmodium vivax	plasmepsin IV, putative	0.0802	0.2763	0.7135
Leishmania major	cathepsin L-like protease	0.0068	0.0082	0.5
Onchocerca volvulus		0.0068	0.0082	0.0742
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0082	0.5
Leishmania major	cathepsin L-like protease	0.0068	0.0082	0.5
Loa Loa (eye worm)	hypothetical protein	0.0349	0.111	0.4016
Leishmania major	cathepsin L-like protease	0.0068	0.0082	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0082	0.5
Leishmania major	cathepsin L-like protease	0.0068	0.0082	0.5
Plasmodium falciparum	plasmepsin II	0.0802	0.2763	0.7135
Brugia malayi	hypothetical protein	0.0349	0.111	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0068	0.0082	0.0082
Loa Loa (eye worm)	aspartic protease BmAsp-2	0.0802	0.2763	1
Leishmania major	cathepsin L-like protease	0.0068	0.0082	0.5
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0349	0.111	0.111
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0068	0.0082	0.0298
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0082	0.5
Schistosoma mansoni	cathepsin F (C01 family)	0.0068	0.0082	0.0082
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0349	0.111	0.111
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.0082	1
Onchocerca volvulus		0.0068	0.0082	0.0742
Toxoplasma gondii	aspartyl protease	0.0349	0.111	0.3832
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0082	0.0298
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0082	0.5
Plasmodium vivax	aspartyl proteinase, putative	0.0802	0.2763	0.7135
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0068	0.0082	0.0298
Brugia malayi	Cathepsin L-like precursor	0.0068	0.0082	0.0742
Leishmania major	cathepsin L-like protease	0.0068	0.0082	0.5
Brugia malayi	Cathepsin L-like precursor	0.0068	0.0082	0.0742
Onchocerca volvulus		0.0068	0.0082	0.0742
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0349	0.111	0.111
Onchocerca volvulus		0.0068	0.0082	0.0742
Brugia malayi	Cathepsin L-like precursor	0.0068	0.0082	0.0742
Loa Loa (eye worm)	aspartyl protease 6	0.0349	0.111	0.4016
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0068	0.0082	0.0298
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0082	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Onchocerca volvulus		0.0349	0.111	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0068	0.0082	1
Echinococcus granulosus	cathepsin d lysosomal aspartyl protease	0.0802	0.2763	1
Echinococcus multilocularis	cathepsin d (lysosomal aspartyl protease)	0.0802	0.2763	1
Leishmania major	cathepsin L-like protease	0.0068	0.0082	0.5
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Brugia malayi	hypothetical protein	0.0349	0.111	1
Plasmodium falciparum	plasmepsin IV	0.0802	0.2763	0.7135
Plasmodium vivax	aspartyl proteinase, putative	0.0349	0.111	0.2734
Brugia malayi	Cathepsin L-like precursor	0.0068	0.0082	0.0742
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0068	0.0082	0.0298
Onchocerca volvulus		0.0068	0.0082	0.0742
Echinococcus granulosus	cathepsin l1	0.0068	0.0082	0.0298
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0068	0.0082	0.5
Onchocerca volvulus	Cathepsin L homolog	0.0068	0.0082	0.0742
Brugia malayi	Cathepsin L-like precursor	0.0068	0.0082	0.0742
Brugia malayi	Papain family cysteine protease containing protein	0.0068	0.0082	0.0742
Schistosoma mansoni	subfamily A1A unassigned peptidase (A01 family)	0.0349	0.111	0.111

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 821684