Detailed information for compound 1437233

Basic information

Technical information
  • TDR Targets ID: 1437233
  • Name: 1-(cyclobutanecarbonyl)-N-[(3-methoxyphenyl)m ethyl]-2,3-dihydroindole-5-sulfonamide
  • MW: 400.491 | Formula: C21H24N2O4S
  • H donors: 1 H acceptors: 3 LogP: 2.74 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CCC1
  • InChi: 1S/C21H24N2O4S/c1-27-18-7-2-4-15(12-18)14-22-28(25,26)19-8-9-20-17(13-19)10-11-23(20)21(24)16-5-3-6-16/h2,4,7-9,12-13,16,22H,3,5-6,10-11,14H2,1H3
  • InChiKey: YTGANFUCHMMTHP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(cyclobutanecarbonyl)-N-[(3-methoxyphenyl)methyl]indoline-5-sulfonamide
  • 1-(cyclobutyl-oxomethyl)-N-[(3-methoxyphenyl)methyl]-5-indolinesulfonamide
  • 1-(cyclobutanecarbonyl)-N-(3-methoxybenzyl)indoline-5-sulfonamide
  • 1-cyclobutylcarbonyl-N-[(3-methoxyphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
  • EU-0092478
  • C361-1013
  • NCGC00108099-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
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
Trichomonas vaginalis CMGC family protein kinase 0.0509 0.2564 1
Echinococcus granulosus dual specificity 0.0843 1 1
Toxoplasma gondii cell-cycle-associated protein kinase GSK, putative 0.0462 0.1507 0.4892
Trichomonas vaginalis CMGC family protein kinase 0.0509 0.2564 1
Brugia malayi intracellular kinase 0.0462 0.1507 0.1064
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0462 0.1507 0.1064
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0509 0.2564 0.2176
Trichomonas vaginalis CMGC family protein kinase 0.0509 0.2564 1
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0509 0.2564 0.2564
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0462 0.1507 0.1507
Trichomonas vaginalis CMGC family protein kinase 0.0509 0.2564 1
Giardia lamblia Kinase, CMGC GSK 0.0462 0.1507 0.4892
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0843 1 1
Echinococcus granulosus dual specificity 0.0509 0.2564 0.2176
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0843 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0417 0.0496 0.0496
Trypanosoma cruzi glycogen synthase kinase 3, putative 0.0462 0.1507 0.1064
Onchocerca volvulus 0.0462 0.1507 0.5
Entamoeba histolytica protein kinase, putative 0.0462 0.1507 0.1064
Echinococcus granulosus microtubule associated protein 2 0.0833 0.979 0.9779
Entamoeba histolytica protein kinase, putative 0.0509 0.2564 0.2176
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.979 0.9779
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0509 0.2564 1
Schistosoma mansoni serine/threonine protein kinase 0.0509 0.2564 0.2176
Trichomonas vaginalis CMGC family protein kinase 0.0462 0.1507 0.4892
Entamoeba histolytica protein kinase, putative 0.0843 1 1
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0509 0.2564 0.2176
Entamoeba histolytica protein kinase domain containing protein 0.0462 0.1507 0.1064
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0462 0.1507 0.1507
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0417 0.0496 0.0496
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0509 0.2564 0.2176
Trichomonas vaginalis CMGC family protein kinase 0.0462 0.1507 0.4892
Echinococcus granulosus dual specificity 0.0509 0.2564 0.2176
Entamoeba histolytica hypothetical protein 0.0843 1 1
Echinococcus granulosus dual specificity 0.0509 0.2564 0.2176
Giardia lamblia Kinase, CMGC DYRK 0.0509 0.2564 1
Schistosoma mansoni serine/threonine protein kinase 0.0843 1 1
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0462 0.1507 0.1064
Giardia lamblia Kinase, CMGC GSK 0.0462 0.1507 0.4892
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0509 0.2564 0.2176
Echinococcus multilocularis dual specificity 0.0843 1 1
Entamoeba histolytica protein kinase, putative 0.0843 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0462 0.1507 0.1064
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0843 1 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0417 0.0496 0.0496
Loa Loa (eye worm) hypothetical protein 0.0821 0.9504 0.9504
Echinococcus multilocularis dual specificity 0.0509 0.2564 0.2176
Entamoeba histolytica protein kinase domain containing protein 0.0843 1 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.979 0.9779
Leishmania major glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270 0.0462 0.1507 0.1064
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0462 0.1507 0.1064
Trypanosoma brucei protein kinase, putative 0.0462 0.1507 0.1064
Loa Loa (eye worm) hypothetical protein 0.0821 0.9504 0.9504
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0843 1 1
Entamoeba histolytica protein kinase domain containing protein 0.0509 0.2564 0.2176
Plasmodium vivax glycogen synthase kinase 3, putative 0.0462 0.1507 1
Echinococcus granulosus protein kinase shaggy 0.0462 0.1507 0.1064
Echinococcus multilocularis dual specificity 0.0509 0.2564 0.2176
Plasmodium falciparum glycogen synthase kinase 3 0.0462 0.1507 1
Trichomonas vaginalis CMGC family protein kinase 0.0509 0.2564 1
Echinococcus multilocularis protein kinase shaggy 0.0462 0.1507 0.1064
Trichomonas vaginalis CMGC family protein kinase 0.0509 0.2564 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0843 1 1
Echinococcus multilocularis dual specificity 0.0509 0.2564 0.2176

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 1.4125 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 8.9125 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (binding) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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