Detailed information for compound 1408981

Basic information

Technical information
  • TDR Targets ID: 1408981
  • Name: 3-(4-chlorophenyl)sulfonyl-N-[2-(1H-indol-3-y l)ethyl]propanamide
  • MW: 390.884 | Formula: C19H19ClN2O3S
  • H donors: 2 H acceptors: 3 LogP: 3.12 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CCS(=O)(=O)c1ccc(cc1)Cl)NCCc1c[nH]c2c1cccc2
  • InChi: 1S/C19H19ClN2O3S/c20-15-5-7-16(8-6-15)26(24,25)12-10-19(23)21-11-9-14-13-22-18-4-2-1-3-17(14)18/h1-8,13,22H,9-12H2,(H,21,23)
  • InChiKey: UJCXPSFFLASBQL-UHFFFAOYSA-N  

Network

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Synonyms

  • 3-(4-chlorophenyl)sulfonyl-N-[2-(1H-indol-3-yl)ethyl]propionamide
  • T5239326
  • MLS000771183
  • SMR000376017
  • ZINC02645527

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei aminopeptidase, putative 0.0092 0 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.0092 0 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0092 0 0.5
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0092 0 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0092 0 0.5
Toxoplasma gondii aminopeptidase N, putative 0.0092 0 0.5
Entamoeba histolytica aminopeptidase, putative 0.0092 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0257 0.1015 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0275 0.1126 0.2622
Loa Loa (eye worm) leukotriene A4 hydrolase 0.1724 1 1
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0092 0 0.5
Brugia malayi hypothetical protein 0.0793 0.4294 1
Schistosoma mansoni voltage-gated potassium channel 0.0301 0.1281 0.1281
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0092 0 0.5
Toxoplasma gondii aminopeptidase n, putative 0.0092 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0239 0.0903 0.0903
Onchocerca volvulus 0.0182 0.0557 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0092 0 0.5
Echinococcus multilocularis leukotriene A 4 hydrolase 0.1724 1 1
Schistosoma mansoni voltage-gated potassium channel 0.0301 0.1281 0.1281
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0092 0 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0275 0.1126 0.1126
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0092 0 0.5
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0092 0 0.5
Toxoplasma gondii aminopeptidase N protein 0.0092 0 0.5
Mycobacterium ulcerans aminopeptidase N PepN 0.0092 0 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0092 0 0.5
Brugia malayi hypothetical protein 0.0182 0.0557 0.1296
Trypanosoma cruzi aminopeptidase, putative 0.0092 0 0.5
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0257 0.1015 1
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0092 0 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0092 0 0.5
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0275 0.1126 0.1126
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0092 0 0.5
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0092 0 0.5
Trypanosoma cruzi aminopeptidase, putative 0.0092 0 0.5
Trypanosoma brucei Aminopeptidase M1, putative 0.0092 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0182 0.0557 0.0557
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0092 0 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0275 0.1126 0.1126
Trypanosoma cruzi Aminopeptidase M1, putative 0.0092 0 0.5
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.1724 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.7079 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) 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) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference

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

Bibliographic References

No literature references available for this target.

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