Detailed information for compound 1431092

Basic information

Technical information
  • TDR Targets ID: 1431092
  • Name: 4-chloro-N-[2-(2,3-dihydroindole-1-carbonyl)p henyl]benzenesulfonamide
  • MW: 412.889 | Formula: C21H17ClN2O3S
  • H donors: 1 H acceptors: 3 LogP: 4.68 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)S(=O)(=O)Nc1ccccc1C(=O)N1CCc2c1cccc2
  • InChi: 1S/C21H17ClN2O3S/c22-16-9-11-17(12-10-16)28(26,27)23-19-7-3-2-6-18(19)21(25)24-14-13-15-5-1-4-8-20(15)24/h1-12,23H,13-14H2
  • InChiKey: KUTKSPAJYIZJAJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-chloro-N-[2-(indoline-1-carbonyl)phenyl]benzenesulfonamide
  • 4-chloro-N-[2-(1-indolinyl-oxomethyl)phenyl]benzenesulfonamide
  • 4-chloro-N-[2-(2,3-dihydroindol-1-ylcarbonyl)phenyl]benzenesulfonamide
  • T0505-3884
  • MLS000707606
  • SMR000241644
  • ZINC03213353

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0064 0.242 0.5
Schistosoma mansoni hypothetical protein 0.0041 0.1191 0.1191
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0854 0.0854
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.195 0.6014
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.195 0.195
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.195 0.195
Leishmania major hypothetical protein, conserved 0.003 0.0614 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0614 0.5
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0614 0.5
Echinococcus granulosus jun protein 0.0081 0.3363 0.3363
Schistosoma mansoni hypothetical protein 0.0205 1 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.2218 0.6838
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.195 0.5798
Schistosoma mansoni jun-related protein 0.0066 0.2541 0.2541
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0614 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.195 0.195
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0614 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0854 0.5
Loa Loa (eye worm) hypothetical protein 0.0079 0.3243 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.195 0.195
Echinococcus multilocularis geminin 0.0205 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.195 0.195
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.2218 0.6594
Schistosoma mansoni hypothetical protein 0.0205 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.195 0.195
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0081 0.3363 0.3363
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0854 0.0854
Echinococcus multilocularis jun protein 0.0081 0.3363 0.3363
Schistosoma mansoni hypothetical protein 0.0035 0.0854 0.0854
Brugia malayi hypothetical protein 0.002 0.0032 0.0097
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0614 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.1191 0.3542
Brugia malayi hypothetical protein 0.003 0.0614 0.1825
Schistosoma mansoni hypothetical protein 0.0066 0.2541 0.2541
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0854 0.0854
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.195 0.195
Brugia malayi hypothetical protein 0.0064 0.242 0.7197
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0614 0.5
Loa Loa (eye worm) hypothetical protein 0.0041 0.1191 0.3673
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.2218 0.6594
Brugia malayi bZIP transcription factor family protein 0.0081 0.3363 1
Loa Loa (eye worm) hypothetical protein 0.006 0.2218 0.6838
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0614 0.5
Entamoeba histolytica hypothetical protein 0.0035 0.0854 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0081 0.3363 0.3363
Brugia malayi hypothetical protein 0.0035 0.0854 0.254
Entamoeba histolytica hypothetical protein 0.0035 0.0854 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0614 0.1893
Entamoeba histolytica hypothetical protein 0.0035 0.0854 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 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) 6.3096 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) 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) 20.5962 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
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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