Detailed information for compound 797624

Basic information

Technical information
  • TDR Targets ID: 797624
  • Name: N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]- 2-methyl-5-propan-2-ylbenzenesulfonamide
  • MW: 388.499 | Formula: C21H25FN2O2S
  • H donors: 2 H acceptors: 2 LogP: 4.78 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc2c(c1)c(CCNS(=O)(=O)c1cc(ccc1C)C(C)C)c([nH]2)C
  • InChi: 1S/C21H25FN2O2S/c1-13(2)16-6-5-14(3)21(11-16)27(25,26)23-10-9-18-15(4)24-20-8-7-17(22)12-19(18)20/h5-8,11-13,23-24H,9-10H2,1-4H3
  • InChiKey: ULVPSLGFJYYQGC-UHFFFAOYSA-N  

Network

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Synonyms

  • N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-isopropyl-2-methyl-benzenesulfonamide
  • N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-5-isopropyl-2-methylbenzenesulfonamide
  • N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-2-methyl-5-propan-2-yl-benzenesulfonamide
  • A3005/0126615
  • ZINC01074519

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium ulcerans aldehyde dehydrogenase 0.0179 0.046 1
Echinococcus multilocularis geminin 0.0174 0.0439 0.0362
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.0308 0.0229
Loa Loa (eye worm) hypothetical protein 0.0072 0.0081 0.0081
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0136 0.0308 0.0308
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0296 0.0872 0.2132
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0322 0.3049
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0081 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.0081 0.0081
Brugia malayi beta-lactamase family protein 0.0072 0.0081 0.0081
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0179 0.046 0.4791
Schistosoma mansoni hypothetical protein 0.0174 0.0439 0.0362
Brugia malayi beta-lactamase 0.0072 0.0081 0.0081
Leishmania major mitochondrial DNA polymerase beta 0.0296 0.0872 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.0081 0.5
Mycobacterium ulcerans hypothetical protein 0.0156 0.0378 0.7837
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0179 0.046 0.2781
Brugia malayi beta-lactamase family protein 0.0072 0.0081 0.0081
Schistosoma mansoni aldehyde dehydrogenase 0.0179 0.046 0.0382
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.0308 0.0229
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.0081 0.0081
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.0308 0.0229
Echinococcus multilocularis gamma secretase subunit aph 1 0.2887 1 1
Trichomonas vaginalis esterase, putative 0.0072 0.0081 0.5
Trypanosoma cruzi Aph-1 protein, putative 0.1125 0.3791 1
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0081 0.5
Mycobacterium leprae conserved hypothetical protein 0.0072 0.0081 0.5
Loa Loa (eye worm) hypothetical protein 0.0072 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0072 0.0081 0.0081
Schistosoma mansoni aldehyde dehydrogenase 0.0179 0.046 0.0382
Onchocerca volvulus 0.0072 0.0081 0.5
Mycobacterium leprae Probable lipase LipE 0.0072 0.0081 0.5
Echinococcus granulosus geminin 0.0174 0.0439 0.0362
Trypanosoma cruzi Aph-1 protein, putative 0.1125 0.3791 1
Toxoplasma gondii aldehyde dehydrogenase 0.0179 0.046 1
Onchocerca volvulus 0.0072 0.0081 0.5
Plasmodium vivax hypothetical protein, conserved 0.0072 0.0081 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0081 0.0195
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0136 0.0308 0.0229
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.0081 0.0195
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.0308 0.0229
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0179 0.046 0.0382
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0179 0.046 0.0382
Mycobacterium tuberculosis Conserved hypothetical protein 0.0156 0.0378 0.218
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.0872 0.2286
Loa Loa (eye worm) hypothetical protein 0.0072 0.0081 0.0081
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0136 0.0308 0.0229
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0081 0.5
Trypanosoma brucei Aph-1 protein, putative 0.1125 0.3791 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0136 0.0308 0.0308
Loa Loa (eye worm) hypothetical protein 0.0072 0.0081 0.0081
Schistosoma mansoni gamma-secretase subunit aph-1 0.2887 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0136 0.0308 0.0229
Schistosoma mansoni hypothetical protein 0.0174 0.0439 0.0362
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.014 0.0322 0.0833
Loa Loa (eye worm) beta-lactamase 0.0072 0.0081 0.0081
Loa Loa (eye worm) hypothetical protein 0.0072 0.0081 0.0081
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.2887 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0459 0.1443 1
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.0081 0.5
Echinococcus granulosus gamma secretase subunit aph 1 0.2887 1 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.014 0.0322 0.065
Mycobacterium ulcerans aldehyde dehydrogenase 0.0179 0.046 1
Onchocerca volvulus 0.0072 0.0081 0.5
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0296 0.0872 0.2286
Mycobacterium ulcerans aldehyde dehydrogenase 0.0179 0.046 1

Activities

No activities found for this compound.

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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