TDR Targets

Basic information

Technical information

TDR Targets ID: 623067
Name: N-[2-[3-[2-(cyclopentylamino)-2-oxoethyl]sulf anylindol-1-yl]ethyl]-4-methoxybenzamide
MW: 451.581 | Formula: C25H29N3O3S
H donors: 2 H acceptors: 2 LogP: 4 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)C(=O)NCCn1cc(c2c1cccc2)SCC(=O)NC1CCCC1
InChi: 1S/C25H29N3O3S/c1-31-20-12-10-18(11-13-20)25(30)26-14-15-28-16-23(21-8-4-5-9-22(21)28)32-17-24(29)27-19-6-2-3-7-19/h4-5,8-13,16,19H,2-3,6-7,14-15,17H2,1H3,(H,26,30)(H,27,29)
InChiKey: TVXBGCYKESKFJF-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

N-[2-[3-[2-(cyclopentylamino)-2-oxo-ethyl]sulfanylindol-1-yl]ethyl]-4-methoxy-benzamide
N-[2-[3-[[2-(cyclopentylamino)-2-oxoethyl]thio]-1-indolyl]ethyl]-4-methoxybenzamide
N-[2-[3-[[2-(cyclopentylamino)-2-keto-ethyl]thio]indol-1-yl]ethyl]-4-methoxy-benzamide

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	cathepsin F (C01 family)	0.0066	0.0202	0.0566
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0106	0.0718	1
Loa Loa (eye worm)	fibroinase	0.0095	0.0573	0.1857
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0095	0.0573	0.7897
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0095	0.0573	0.7897
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0095	0.0573	0.1857
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0288	0.3085	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0095	0.0573	0.7897
Brugia malayi	Cathepsin L-like precursor	0.0095	0.0573	0.1857
Loa Loa (eye worm)	hypothetical protein	0.0288	0.3085	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0095	0.0573	0.7897
Echinococcus multilocularis	cathepsin b	0.0288	0.3085	0.3065
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0288	0.3085	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0288	0.3085	1
Echinococcus granulosus	cathepsin b	0.0288	0.3085	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0095	0.0573	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0288	0.3085	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0095	0.0573	0.7897
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0095	0.0573	0.7897
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0095	0.0573	0.178
Onchocerca volvulus		0.0095	0.0573	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0202	0.0655
Onchocerca volvulus		0.0095	0.0573	1
Entamoeba histolytica	cysteine proteinase, putative	0.0066	0.0202	0.3182
Echinococcus granulosus	cathepsin b	0.0288	0.3085	1
Leishmania major	cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like	0.0106	0.0718	1
Brugia malayi	Papain family cysteine protease containing protein	0.0095	0.0573	0.1857
Trypanosoma cruzi	cysteine peptidase, putative	0.0095	0.0573	0.178
Brugia malayi	Cathepsin L-like precursor	0.0066	0.0202	0.0655
Plasmodium vivax	vivapain-2	0.0095	0.0573	1
Onchocerca volvulus	Cathepsin F homolog	0.0095	0.0573	1
Onchocerca volvulus		0.0095	0.0573	1
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0066	0.0202	0.0655
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0106	0.0718	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0095	0.0573	0.1857
Echinococcus multilocularis	cathepsin L cysteine protease	0.0095	0.0573	0.0546
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0095	0.0573	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0095	0.0573	0.7897
Onchocerca volvulus	Cathepsin L homolog	0.0095	0.0573	1
Brugia malayi	Cathepsin L-like precursor	0.0095	0.0573	0.1857
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0106	0.0718	0.2254
Onchocerca volvulus		0.0095	0.0573	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0095	0.0573	0.7897
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0095	0.0573	0.7897
Brugia malayi	cathepsin L-like precursor	0.0066	0.0202	0.0655
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Entamoeba histolytica	cysteine proteinase, putative	0.0095	0.0573	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0095	0.0573	0.7897
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0288	0.3085	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Schistosoma mansoni	cathepsin F (C01 family)	0.0095	0.0573	0.178
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0095	0.0573	0.7897
Onchocerca volvulus	Cathepsin L homolog	0.0095	0.0573	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0095	0.0573	0.7897
Brugia malayi	Papain family cysteine protease containing protein	0.0053	0.0029	0.0094
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Trypanosoma cruzi	cysteine peptidase, putative	0.0095	0.0573	0.178
Brugia malayi	Cathepsin L-like precursor	0.0095	0.0573	0.1857
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Echinococcus granulosus	cathepsin l1	0.0095	0.0573	0.178
Toxoplasma gondii	cathepsin B	0.0106	0.0718	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0095	0.0573	0.7897
Giardia lamblia	Cathepsin B precursor	0.0106	0.0718	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0095	0.0573	0.7897
Trypanosoma cruzi	cysteine peptidase, putative	0.0095	0.0573	0.178
Loa Loa (eye worm)	ctsf protein	0.0095	0.0573	0.1857
Trypanosoma cruzi	cysteine peptidase, putative	0.0095	0.0573	0.178
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0066	0.0202	0.0566
Plasmodium vivax	vivapain-2	0.0095	0.0573	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0095	0.0573	0.178
Brugia malayi	Cathepsin L-like precursor	0.0095	0.0573	0.1857
Onchocerca volvulus		0.0095	0.0573	1
Echinococcus granulosus	cathepsin l1	0.0066	0.0202	0.0566
Onchocerca volvulus		0.0095	0.0573	1
Giardia lamblia	Cathepsin B precursor	0.0106	0.0718	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0095	0.0573	0.7897
Echinococcus multilocularis	cathepsin L cysteine protease	0.0095	0.0573	0.0546
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0202	0.2513
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0095	0.0573	0.178
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0095	0.0573	0.7897
Brugia malayi	Cathepsin L-like precursor	0.0095	0.0573	0.1857
Echinococcus multilocularis	cathepsin b	0.0288	0.3085	0.3065
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0095	0.0573	0.7897
Brugia malayi	Cathepsin L-like precursor	0.0066	0.0202	0.0655
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0095	0.0573	0.7897
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0095	0.0573	0.0546
Brugia malayi	Papain family cysteine protease containing protein	0.0053	0.0029	0.0094
Echinococcus multilocularis	cysteine protease	0.0095	0.0573	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0202	0.0655
Giardia lamblia	Cathepsin B precursor	0.0106	0.0718	0.5
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0095	0.0573	0.0546
Loa Loa (eye worm)	cathepsin B	0.0106	0.0718	0.2327
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0095	0.0573	0.7897
Loa Loa (eye worm)	hypothetical protein	0.0095	0.0573	0.1857
Entamoeba histolytica	cysteine proteinase, putative	0.0095	0.0573	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Brugia malayi	Cathepsin L-like precursor	0.0095	0.0573	0.1857
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0106	0.0718	0.2254
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0095	0.0573	0.7897
Brugia malayi	cathepsin B-like cysteine proteinase	0.0288	0.3085	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0066	0.0202	0.2513
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0095	0.0573	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0095	0.0573	0.178
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0095	0.0573	0.7897
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0095	0.0573	0.7897
Entamoeba histolytica	cysteine protease, putative	0.0095	0.0573	1
Echinococcus multilocularis	cysteine protease	0.0095	0.0573	0.0546
Loa Loa (eye worm)	cysteine protease	0.0095	0.0573	0.1857
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0202	0.0655
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Onchocerca volvulus		0.0095	0.0573	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0095	0.0573	0.7897

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 623067