Detailed information for compound 1416491

Basic information

Technical information
  • TDR Targets ID: 1416491
  • Name: 1-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2 ,3-dihydroindole-5-sulfonamide
  • MW: 379.517 | Formula: C19H29N3O3S
  • H donors: 1 H acceptors: 3 LogP: 2.12 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1CCCCN1CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C
  • InChi: 1S/C19H29N3O3S/c1-3-17-6-4-5-11-21(17)13-10-20-26(24,25)18-7-8-19-16(14-18)9-12-22(19)15(2)23/h7-8,14,17,20H,3-6,9-13H2,1-2H3
  • InChiKey: KXRLMISUAQPCFW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-acetyl-N-[2-(2-ethyl-1-piperidyl)ethyl]indoline-5-sulfonamide
  • 1-acetyl-N-[2-(2-ethyl-1-piperidinyl)ethyl]-5-indolinesulfonamide
  • 1-ethanoyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
  • 1-acetyl-N-[2-(2-ethylpiperidin-1-yl)ethyl]indoline-5-sulfonamide
  • MLS000091508
  • EU-0059024
  • SMR000026063

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens thyroid stimulating hormone receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
Loa Loa (eye worm) follicle stimulating hormone receptor Get druggable targets OG5_130089 All targets in OG5_130089
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) PAN domain-containing protein 0.0188 0.0419 0.3241
Loa Loa (eye worm) hypothetical protein 0.0096 0.0053 0.0413
Brugia malayi solute carrier family 40, member 1 0.0407 0.1292 1
Toxoplasma gondii PAN domain-containing protein 0.2476 0.9514 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0053 0.0413
Echinococcus granulosus tissue type plasminogen activator 0.0249 0.0662 0.4752
Onchocerca volvulus 0.0249 0.0662 0.4909
Brugia malayi PAN domain containing protein 0.0188 0.0419 0.295
Onchocerca volvulus 0.0188 0.0419 0.295
Onchocerca volvulus 0.0188 0.0419 0.295
Loa Loa (eye worm) PAN domain-containing protein 0.0188 0.0419 0.3241
Loa Loa (eye worm) trypsin family protein 0.0096 0.0053 0.0413
Loa Loa (eye worm) hypothetical protein 0.0188 0.0419 0.3241
Loa Loa (eye worm) hypothetical protein 0.0096 0.0053 0.0413
Onchocerca volvulus 0.0188 0.0419 0.295
Brugia malayi PAN domain containing protein 0.0188 0.0419 0.295
Onchocerca volvulus 0.0188 0.0419 0.295
Loa Loa (eye worm) hypothetical protein 0.0117 0.0138 0.1068
Leishmania major hypothetical protein, conserved 0.0249 0.0662 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.0419 0.3241
Loa Loa (eye worm) hypothetical protein 0.0096 0.0053 0.0413
Echinococcus multilocularis neuropeptides capa receptor 0.0418 0.1333 1
Loa Loa (eye worm) hypothetical protein 0.0188 0.0419 0.3241
Onchocerca volvulus 0.0188 0.0419 0.295
Loa Loa (eye worm) hypothetical protein 0.0249 0.0662 0.5119
Schistosoma mansoni integrin alpha 0.0149 0.0265 0.0213
Loa Loa (eye worm) TK/ROR protein kinase 0.0249 0.0662 0.5119
Loa Loa (eye worm) PAN domain-containing protein 0.0188 0.0419 0.3241
Onchocerca volvulus 0.0188 0.0419 0.295
Onchocerca volvulus 0.0188 0.0419 0.295
Brugia malayi PAN domain containing protein 0.0188 0.0419 0.295
Brugia malayi follicle stimulating hormone receptor 0.0289 0.0822 0.6207
Onchocerca volvulus 0.0407 0.1292 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0053 0.0413
Mycobacterium ulcerans hypothetical protein 0.0096 0.0053 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0249 0.0662 0.5
Brugia malayi Protein kinase domain containing protein 0.0249 0.0662 0.4909
Brugia malayi PAN domain containing protein 0.0188 0.0419 0.295
Toxoplasma gondii kringle domain-containing protein 0.0249 0.0662 0.0267
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0289 0.0822 0.6364
Onchocerca volvulus 0.0188 0.0419 0.295
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0107 0.0098 0.0045
Brugia malayi Integrin alpha pat-2 precursor 0.0149 0.0265 0.1709
Brugia malayi PAN domain containing protein 0.0188 0.0419 0.295
Loa Loa (eye worm) PAN domain-containing protein 0.0188 0.0419 0.3241
Onchocerca volvulus 0.0188 0.0419 0.295
Loa Loa (eye worm) hypothetical protein 0.0407 0.1292 1
Loa Loa (eye worm) integrin alpha pat-2 0.0229 0.0585 0.4528
Plasmodium falciparum cysteine repeat modular protein 1 0.0249 0.0662 0.5
Loa Loa (eye worm) hypothetical protein 0.0188 0.0419 0.3241
Brugia malayi Kringle domain containing protein 0.0249 0.0662 0.4909
Loa Loa (eye worm) hypothetical protein 0.0188 0.0419 0.3241
Onchocerca volvulus 0.0188 0.0419 0.295
Schistosoma mansoni hypothetical protein 0.0249 0.0662 0.0612
Loa Loa (eye worm) hypothetical protein 0.0188 0.0419 0.3241
Loa Loa (eye worm) hypothetical protein 0.0188 0.0419 0.3241
Brugia malayi Integrin alpha cytoplasmic region family protein 0.0113 0.0121 0.0547
Echinococcus granulosus neuropeptides capa receptor 0.0418 0.1333 1
Brugia malayi PAN domain containing protein 0.0188 0.0419 0.295
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0249 0.0662 0.5
Loa Loa (eye worm) hypothetical protein 0.0113 0.0121 0.0936
Loa Loa (eye worm) PAN domain-containing protein 0.0188 0.0419 0.3241
Brugia malayi PAN domain containing protein 0.0188 0.0419 0.295
Brugia malayi PAN domain containing protein 0.0188 0.0419 0.295
Schistosoma mansoni serine-type protease inhibitor 0.2599 1 1
Loa Loa (eye worm) hypothetical protein 0.0096 0.0053 0.0413
Echinococcus granulosus integrin alpha 3 0.0114 0.0127 0.0576
Loa Loa (eye worm) hypothetical protein 0.0096 0.0053 0.0413
Brugia malayi PAN domain containing protein 0.0188 0.0419 0.295
Onchocerca volvulus 0.0188 0.0419 0.295
Echinococcus multilocularis integrin alpha 3 0.0114 0.0127 0.0576
Brugia malayi PAN domain containing protein 0.0188 0.0419 0.295
Echinococcus multilocularis tissue type plasminogen activator 0.0249 0.0662 0.4752
Toxoplasma gondii PAN domain-containing protein 0.2476 0.9514 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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) 16.5113 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) 30.1313 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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

Bibliographic References

No literature references available for this target.

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