Detailed information for compound 1377005

Basic information

Technical information
  • TDR Targets ID: 1377005
  • Name: N-(2,5-dimethylphenyl)-5-(4-methylpiperidin-1 -yl)sulfonyl-2,3-dihydroindole-1-carboxamide
  • MW: 427.56 | Formula: C23H29N3O3S
  • H donors: 1 H acceptors: 3 LogP: 3.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)Nc1cc(C)ccc1C
  • InChi: 1S/C23H29N3O3S/c1-16-8-11-25(12-9-16)30(28,29)20-6-7-22-19(15-20)10-13-26(22)23(27)24-21-14-17(2)4-5-18(21)3/h4-7,14-16H,8-13H2,1-3H3,(H,24,27)
  • InChiKey: LTMWNXAUXKQLEO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,5-dimethylphenyl)-5-[(4-methyl-1-piperidyl)sulfonyl]indoline-1-carboxamide
  • N-(2,5-dimethylphenyl)-5-[(4-methyl-1-piperidinyl)sulfonyl]-1-indolinecarboxamide
  • C800-0343
  • NCGC00113865-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Schistosoma mansoni bromodomain-containing protein 3 brd3 0.0422 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.5941 0.5
Echinococcus granulosus bromodomain containing 2 0.0422 1 1
Echinococcus multilocularis bromodomain containing 2 0.0422 1 1
Echinococcus multilocularis Bromodomain containing protein 0.0188 0.3419 0.3174
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.009 0.0668 0.032
Loa Loa (eye worm) bromodomain containing protein 0.0188 0.3419 0.3419
Trichomonas vaginalis bromodomain containing protein, putative 0.0262 0.5501 0.3163
Trichomonas vaginalis bromodomain-containing protein, putative 0.0262 0.5501 0.3163
Brugia malayi hypothetical protein 0.016 0.263 0.263
Trichomonas vaginalis conserved hypothetical protein 0.0262 0.5501 0.3163
Entamoeba histolytica bromodomain-containing protein 0.0188 0.3419 0.5
Trypanosoma brucei cytochrome P450, putative 0.0066 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0422 1 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0066 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0126 0.1678 0.1678
Trypanosoma cruzi cytochrome P450, putative 0.0066 0 0.5
Brugia malayi Bromodomain containing protein 0.0422 1 1
Toxoplasma gondii bromodomain-containing protein 0.0188 0.3419 1
Entamoeba histolytica bromodomain-containing protein 0.0188 0.3419 0.5
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.009 0.0668 0.032
Trichomonas vaginalis bromodomain-containing protein, putative 0.0422 1 1
Loa Loa (eye worm) cyclic AMP specific phosphodiesterase PDE4D5A 0.0079 0.036 0.036
Echinococcus multilocularis cAMP specific 3',5' cyclic phosphodiesterase 0.009 0.0668 0.032
Entamoeba histolytica bromodomain-containing protein 0.0188 0.3419 0.5
Giardia lamblia Kinase, putative 0.0188 0.3419 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0262 0.5501 0.3163
Loa Loa (eye worm) hypothetical protein 0.009 0.0668 0.0668
Echinococcus granulosus cAMP specific 3'5' cyclic phosphodiesterase 0.009 0.0668 0.032
Trichomonas vaginalis conserved hypothetical protein 0.0234 0.4712 0.1964
Brugia malayi Probable 3',5'-cyclic phosphodiesterase R153.1, putative 0.0079 0.036 0.036
Onchocerca volvulus 0.0188 0.3419 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0422 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0126 0.1678 0.1678
Trypanosoma cruzi cytochrome P450, putative 0.0066 0 0.5
Leishmania major cytochrome p450-like protein 0.0066 0 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0262 0.5501 0.3163

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 2.8184 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
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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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