TDR Targets

Basic information

Technical information

TDR Targets ID: 1444944
Name: N-[2-(4-ethoxyphenyl)ethyl]-3-(5-pyrrolidin-1 -ylsulfonylindol-1-yl)propanamide
MW: 469.596 | Formula: C25H31N3O4S
H donors: 1 H acceptors: 3 LogP: 3.11 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)CCNC(=O)CCn1ccc2c1ccc(c2)S(=O)(=O)N1CCCC1
InChi: 1S/C25H31N3O4S/c1-2-32-22-7-5-20(6-8-22)11-14-26-25(29)13-18-27-17-12-21-19-23(9-10-24(21)27)33(30,31)28-15-3-4-16-28/h5-10,12,17,19H,2-4,11,13-16,18H2,1H3,(H,26,29)
InChiKey: MORFGRQOOJZZOY-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-(4-ethoxyphenyl)ethyl]-3-(5-1-pyrrolidinylsulfonyl-1-indolyl)propanamide
N-[2-(4-ethoxyphenyl)ethyl]-3-(5-pyrrolidin-1-ylsulfonylindol-1-yl)propionamide

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
Echinococcus granulosus	tubulin alpha 1C chain	0.0683	0.4206	0.264
Echinococcus multilocularis	peroxisome assembly protein 26	0.0683	0.4206	0.264
Trichomonas vaginalis	tubulin gamma chain, putative	0.11	1	1
Entamoeba histolytica	tubulin alpha-1 chain	0.0683	0.4206	0.264
Plasmodium falciparum	alpha tubulin 1	0.0683	0.4206	0.264
Echinococcus granulosus	tubulin alpha 3 chain	0.0683	0.4206	0.264
Trypanosoma brucei	alpha tubulin	0.0683	0.4206	0.264
Echinococcus multilocularis	Tubulin beta 2C chain	0.11	1	1
Echinococcus multilocularis	tubulin subunit beta	0.11	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.11	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0683	0.4206	0.4206
Loa Loa (eye worm)	tubulin beta-1 chain	0.11	1	1
Trichomonas vaginalis	tubulin alpha-1 chain, putative	0.0452	0.0978	0.0978
Echinococcus multilocularis	tubulin subunit TubB	0.0683	0.4206	0.264
Loa Loa (eye worm)	BEN-1 protein	0.11	1	1
Echinococcus multilocularis	hypothetical protein	0.0683	0.4206	0.264
Trichomonas vaginalis	tubulin, putative	0.11	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0683	0.4206	0.4206
Echinococcus granulosus	tubulin alpha chain	0.0683	0.4206	0.264
Leishmania major	alpha tubulin	0.0683	0.4206	0.264
Leishmania major	beta tubulin	0.11	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.11	1	1
Entamoeba histolytica	tubulin family protein	0.11	1	1
Schistosoma mansoni	tubulin subunit beta	0.11	1	1
Echinococcus granulosus	tubulin alpha chain	0.0683	0.4206	0.264
Echinococcus granulosus	Tubulin alpha 1 chain	0.0683	0.4206	0.264
Echinococcus multilocularis	Tubulin beta 2C chain	0.11	1	1
Echinococcus granulosus	tubulin alpha 3 chain	0.0683	0.4206	0.264
Leishmania major	alpha tubulin	0.0683	0.4206	0.264
Echinococcus multilocularis	tubulin alpha 1C chain	0.0683	0.4206	0.264
Brugia malayi	alpha-tubulin	0.0683	0.4206	0.264
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0683	0.4206	0.264
Leishmania major	beta tubulin	0.11	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0683	0.4206	0.4206
Leishmania major	beta tubulin	0.11	1	1
Schistosoma mansoni	tubulin subunit beta	0.11	1	1
Loa Loa (eye worm)	BEN-1 protein	0.11	1	1
Toxoplasma gondii	beta tubulin	0.11	1	1
Trichomonas vaginalis	tubulin epsilon chain, putative	0.11	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0683	0.4206	0.264
Leishmania major	beta tubulin	0.11	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0683	0.4206	0.264
Leishmania major	beta tubulin	0.11	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0683	0.4206	0.264
Schistosoma mansoni	tubulin subunit beta	0.11	1	1
Plasmodium falciparum	tubulin beta chain	0.11	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.11	1	1
Loa Loa (eye worm)	alpha-tubulin isotype 2	0.0452	0.0978	0.0978
Echinococcus granulosus	peroxisome assembly protein 26	0.0683	0.4206	0.264
Loa Loa (eye worm)	tubulin alpha chain	0.0683	0.4206	0.4206
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0683	0.4206	0.4206
Trichomonas vaginalis	tubulin beta chain, putative	0.0683	0.4206	0.4206
Echinococcus multilocularis	tubulin alpha chain	0.0683	0.4206	0.264
Schistosoma mansoni	alpha tubulin	0.0683	0.4206	0.264
Echinococcus granulosus	tubulin subunit TubB	0.0683	0.4206	0.264
Loa Loa (eye worm)	hypothetical protein	0.0452	0.0978	0.0978
Echinococcus multilocularis	beta tubulin	0.11	1	1
Trypanosoma brucei	beta tubulin	0.11	1	1
Echinococcus granulosus	Tubulin beta 2C chain	0.11	1	1
Leishmania major	beta tubulin	0.11	1	1
Leishmania major	alpha tubulin	0.0683	0.4206	0.264
Leishmania major	alpha tubulin	0.0683	0.4206	0.264
Echinococcus granulosus	tubulin beta 1 chain	0.11	1	1
Leishmania major	beta tubulin	0.11	1	1
Echinococcus granulosus	tubulin beta 4A class IVa	0.11	1	1
Giardia lamblia	Alpha-tubulin	0.0683	0.4206	0.264
Echinococcus granulosus	tubulin alpha chain	0.0683	0.4206	0.264
Loa Loa (eye worm)	tubulin beta-2A chain	0.11	1	1
Leishmania major	alpha tubulin	0.0683	0.4206	0.264
Loa Loa (eye worm)	tubulin beta-4 chain	0.11	1	1
Echinococcus multilocularis	Tubulin beta 2C chain	0.11	1	1
Leishmania major	beta tubulin	0.11	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0683	0.4206	0.4206
Trypanosoma brucei	alpha tubulin	0.0683	0.4206	0.264
Trypanosoma cruzi	alpha tubulin, putative	0.0683	0.4206	0.264
Echinococcus multilocularis	beta tubulin	0.11	1	1
Loa Loa (eye worm)	tubulin alpha-2 chain	0.0683	0.4206	0.4206
Trichomonas vaginalis	tubulin beta chain, putative	0.0683	0.4206	0.4206
Toxoplasma gondii	beta-tubulin, putative	0.11	1	1
Echinococcus multilocularis	tubulin alpha chain	0.0683	0.4206	0.264
Trypanosoma cruzi	beta tubulin, putative	0.11	1	1
Leishmania major	beta tubulin	0.11	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0683	0.4206	0.264
Leishmania major	beta tubulin	0.11	1	1
Echinococcus granulosus	tubulin subunit beta	0.11	1	1
Leishmania major	alpha tubulin	0.0683	0.4206	0.264
Echinococcus multilocularis	Tubulin beta 2C chain	0.11	1	1
Leishmania major	beta tubulin	0.11	1	1
Echinococcus multilocularis	tubulin alpha 1C chain	0.0683	0.4206	0.264
Echinococcus granulosus	Tubulin beta 2C chain	0.11	1	1
Schistosoma mansoni	tubulin subunit beta	0.11	1	1
Leishmania major	alpha tubulin	0.0683	0.4206	0.264
Loa Loa (eye worm)	tubulin gamma chain	0.0534	0.2128	0.2128
Giardia lamblia	Beta tubulin	0.11	1	1
Schistosoma mansoni	tubulin subunit alpha	0.0683	0.4206	0.264
Echinococcus multilocularis	tubulin beta 1 chain	0.11	1	1
Leishmania major	beta tubulin	0.11	1	1
Echinococcus granulosus	Tubulin alpha 1 chain	0.0683	0.4206	0.264
Leishmania major	beta tubulin	0.11	1	1
Brugia malayi	tubulin alpha-2 chain	0.0683	0.4206	0.264
Trypanosoma brucei	alpha tubulin	0.0683	0.4206	0.264
Echinococcus multilocularis	tubulin alpha chain	0.0683	0.4206	0.264
Leishmania major	beta tubulin	0.11	1	1
Trypanosoma brucei	alpha tubulin	0.0683	0.4206	0.264
Leishmania major	alpha tubulin	0.0683	0.4206	0.264
Trichomonas vaginalis	tubulin gamma chain, putative	0.0534	0.2128	0.2128
Trichomonas vaginalis	tubulin beta chain, putative	0.0683	0.4206	0.4206
Loa Loa (eye worm)	tubulin alpha 2	0.0452	0.0978	0.0978
Brugia malayi	Tubulin alpha-2 chain	0.0683	0.4206	0.264
Toxoplasma gondii	alpha-tubulin I, putative	0.0683	0.4206	0.264
Entamoeba histolytica	tubulin family protein	0.11	1	1
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.11	1	1
Plasmodium vivax	tubulin alpha chain, putative	0.0683	0.4206	0.264
Schistosoma mansoni	tubulin subunit beta	0.11	1	1
Giardia lamblia	Beta tubulin	0.11	1	1
Brugia malayi	beta-tubulin, identical	0.11	1	1
Trichomonas vaginalis	tubulin gamma chain, putative	0.0534	0.2128	0.2128
Brugia malayi	Tubulin alpha chain	0.0683	0.4206	0.264
Echinococcus granulosus	tubulin alpha chain	0.0683	0.4206	0.264
Trichomonas vaginalis	tubulin alpha chain, putative	0.0534	0.2128	0.2128
Schistosoma mansoni	tubulin subunit alpha	0.0683	0.4206	0.264
Leishmania major	beta tubulin	0.11	1	1
Echinococcus granulosus	tubulin alpha chain	0.0683	0.4206	0.264
Echinococcus granulosus	Tubulin alpha 1 chain	0.0683	0.4206	0.264
Echinococcus granulosus	tubulin alpha 1C chain	0.0683	0.4206	0.264
Echinococcus granulosus	alpha tubulin	0.0683	0.4206	0.264
Brugia malayi	tubulin alpha chain - mouse	0.0683	0.4206	0.264
Leishmania major	beta tubulin	0.11	1	1
Schistosoma mansoni	alpha tubulin	0.0683	0.4206	0.264
Loa Loa (eye worm)	hypothetical protein	0.0683	0.4206	0.4206
Echinococcus multilocularis	tubulin alpha chain	0.0683	0.4206	0.264
Echinococcus granulosus	beta tubulin	0.11	1	1
Leishmania major	beta tubulin	0.11	1	1
Leishmania major	alpha tubulin	0.0683	0.4206	0.264
Echinococcus granulosus	Tubulin beta 2C chain	0.11	1	1
Echinococcus multilocularis	tubulin alpha 3 chain	0.0683	0.4206	0.264
Trichomonas vaginalis	tubulin epsilon chain, putative	0.11	1	1
Loa Loa (eye worm)	tubulin alpha 2	0.0452	0.0978	0.0978
Leishmania major	alpha tubulin	0.0683	0.4206	0.264
Toxoplasma gondii	beta-1 tubulin, putative	0.11	1	1
Leishmania major	beta tubulin	0.11	1	1
Echinococcus granulosus	beta tubulin	0.11	1	1
Leishmania major	alpha tubulin	0.0683	0.4206	0.264
Loa Loa (eye worm)	alpha-tubulin	0.0683	0.4206	0.4206
Trichomonas vaginalis	tubulin beta chain, putative	0.11	1	1
Schistosoma mansoni	alpha tubulin	0.0683	0.4206	0.264
Giardia lamblia	Beta tubulin	0.11	1	1
Loa Loa (eye worm)	beta-tubulin	0.11	1	1
Loa Loa (eye worm)	alpha-tubulin	0.0683	0.4206	0.4206
Loa Loa (eye worm)	tubulin alpha chain	0.0683	0.4206	0.4206
Loa Loa (eye worm)	tubulin beta chain	0.11	1	1
Plasmodium falciparum	alpha tubulin 2	0.0683	0.4206	0.264
Entamoeba histolytica	tubulin alpha chain, putative	0.0683	0.4206	0.264
Plasmodium vivax	tubulin beta chain, putative	0.11	1	1
Trichomonas vaginalis	tubulin beta chain, putative	0.0683	0.4206	0.4206
Schistosoma mansoni	tubulin subunit beta	0.11	1	1
Trichomonas vaginalis	tubulin alpha chain, putative	0.11	1	1
Trypanosoma brucei	beta tubulin	0.11	1	1
Echinococcus multilocularis	Tubulin alpha 1 chain	0.0683	0.4206	0.264
Toxoplasma gondii	alpha tubulin TUBA1	0.0683	0.4206	0.264
Trypanosoma brucei	beta tubulin	0.11	1	1
Giardia lamblia	Alpha-tubulin	0.0683	0.4206	0.264
Trypanosoma brucei	beta tubulin	0.11	1	1
Brugia malayi	Tubulin alpha-2 chain	0.0683	0.4206	0.264
Schistosoma mansoni	tubulin subunit alpha	0.0683	0.4206	0.264
Leishmania major	alpha tubulin	0.0683	0.4206	0.264

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	26.6795 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	32.6294 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1596852

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 1444944