Detailed information for compound 1327257

Basic information

Technical information
  • TDR Targets ID: 1327257
  • Name: N-(2-chloro-4-methylphenyl)-3-[[1-(cyclopropa necarbonyl)-2,3-dihydroindol-5-yl]sulfonylami no]propanamide
  • MW: 461.962 | Formula: C22H24ClN3O4S
  • H donors: 2 H acceptors: 4 LogP: 2.54 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1Cl)C)CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1
  • InChi: 1S/C22H24ClN3O4S/c1-14-2-6-19(18(23)12-14)25-21(27)8-10-24-31(29,30)17-5-7-20-16(13-17)9-11-26(20)22(28)15-3-4-15/h2,5-7,12-13,15,24H,3-4,8-11H2,1H3,(H,25,27)
  • InChiKey: AGRYIKASNIPVRR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-chloro-4-methyl-phenyl)-3-[[1-(cyclopropanecarbonyl)indolin-5-yl]sulfonylamino]propanamide
  • N-(2-chloro-4-methylphenyl)-3-[[1-(cyclopropyl-oxomethyl)-5-indolinyl]sulfonylamino]propanamide
  • N-(2-chloro-4-methyl-phenyl)-3-[[1-(cyclopropanecarbonyl)indolin-5-yl]sulfonylamino]propionamide
  • N-(2-chloro-4-methyl-phenyl)-3-[(1-cyclopropylcarbonyl-2,3-dihydroindol-5-yl)sulfonylamino]propanamide
  • NCGC00135332-01
  • G849-0068

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens galactosylceramidase No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0244 0.5
Echinococcus multilocularis lamin dm0 0.0033 0.0411 0.0411
Schistosoma mansoni hypothetical protein 0.0112 0.2449 0.4237
Loa Loa (eye worm) hypothetical protein 0.0112 0.2449 0.2831
Schistosoma mansoni tar DNA-binding protein 0.0189 0.4405 0.7622
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0112 0.2449 0.2449
Brugia malayi hypothetical protein 0.0017 0.0008 0.001
Schistosoma mansoni hypothetical protein 0.0112 0.2449 0.4237
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0411 0.0475
Schistosoma mansoni tar DNA-binding protein 0.0189 0.4405 0.7622
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0244 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0244 0.5
Brugia malayi intermediate filament protein 0.0033 0.0411 0.0475
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Echinococcus multilocularis musashi 0.0033 0.0411 0.0411
Loa Loa (eye worm) hypothetical protein 0.0243 0.5779 0.6682
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0244 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0112 0.2449 0.2449
Schistosoma mansoni lamin 0.0033 0.0411 0.071
Loa Loa (eye worm) RNA binding protein 0.0189 0.4405 0.5093
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0024 0.0028
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0112 0.2449 0.2831
Schistosoma mansoni hypothetical protein 0.0243 0.5779 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0244 0.5
Schistosoma mansoni tar DNA-binding protein 0.0189 0.4405 0.7622
Schistosoma mansoni intermediate filament proteins 0.0033 0.0411 0.071
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0411 0.0475
Brugia malayi RNA binding protein 0.0189 0.4405 0.5093
Brugia malayi TAR-binding protein 0.0189 0.4405 0.5093
Echinococcus multilocularis tar DNA binding protein 0.0189 0.4405 0.4405
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0112 0.2449 0.2449
Echinococcus granulosus tar DNA binding protein 0.0189 0.4405 0.4405
Echinococcus granulosus intermediate filament protein 0.0033 0.0411 0.0411
Schistosoma mansoni hypothetical protein 0.0112 0.2449 0.4237
Loa Loa (eye worm) MH2 domain-containing protein 0.0242 0.576 0.666
Loa Loa (eye worm) hypothetical protein 0.0033 0.0411 0.0475
Loa Loa (eye worm) hypothetical protein 0.006 0.1104 0.1277
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0024 0.0028
Schistosoma mansoni hypothetical protein 0.0175 0.4046 0.7001
Brugia malayi RNA recognition motif domain containing protein 0.0189 0.4405 0.5093
Loa Loa (eye worm) hypothetical protein 0.0355 0.8649 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0189 0.4405 0.5093
Loa Loa (eye worm) transcription factor SMAD2 0.0242 0.576 0.666
Leishmania major hypothetical protein, conserved 0.0026 0.0244 0.5
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0411 0.0475
Brugia malayi hypothetical protein 0.0026 0.0244 0.0282
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0244 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0244 0.5
Onchocerca volvulus 0.006 0.1104 1
Brugia malayi latrophilin 2 splice variant baaae 0.0243 0.5779 0.6682
Schistosoma mansoni hypothetical protein 0.0175 0.4046 0.7001
Loa Loa (eye worm) TAR-binding protein 0.0189 0.4405 0.5093
Echinococcus granulosus lamin 0.0033 0.0411 0.0411
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0112 0.2449 0.2449
Brugia malayi MH2 domain containing protein 0.0242 0.576 0.666
Echinococcus multilocularis GPCR, family 2 0.0112 0.2449 0.2449
Echinococcus multilocularis geminin 0.0175 0.4046 0.4046
Loa Loa (eye worm) hypothetical protein 0.0026 0.0244 0.0282
Brugia malayi Calcitonin receptor-like protein seb-1 0.0355 0.8649 1
Schistosoma mansoni hypothetical protein 0.0112 0.2449 0.4237
Schistosoma mansoni cellular tumor antigen P53 0.006 0.1104 0.1911
Schistosoma mansoni tar DNA-binding protein 0.0189 0.4405 0.7622
Echinococcus multilocularis lamin 0.0033 0.0411 0.0411
Echinococcus granulosus lamin dm0 0.0033 0.0411 0.0411
Loa Loa (eye worm) latrophilin receptor protein 2 0.0112 0.2449 0.2831
Schistosoma mansoni lamin 0.0033 0.0411 0.071
Echinococcus granulosus geminin 0.0175 0.4046 0.4046
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0355 0.8649 1
Schistosoma mansoni tar DNA-binding protein 0.0189 0.4405 0.7622
Loa Loa (eye worm) hypothetical protein 0.0032 0.0395 0.0457
Brugia malayi Latrophilin receptor protein 2 0.0112 0.2449 0.2831
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0355 0.8649 1
Echinococcus granulosus GPCR family 2 0.0112 0.2449 0.2449

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.1413 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.9953 uM PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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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