Detailed information for compound 703500

Basic information

Technical information
  • TDR Targets ID: 703500
  • Name: 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1- yl]-1-piperidin-1-ylethanone
  • MW: 414.493 | Formula: C22H23FN2O3S
  • H donors: 0 H acceptors: 3 LogP: 3.31 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1cccc(c1)CS(=O)(=O)c1cn(c2c1cccc2)CC(=O)N1CCCCC1
  • InChi: 1S/C22H23FN2O3S/c23-18-8-6-7-17(13-18)16-29(27,28)21-14-25(20-10-3-2-9-19(20)21)15-22(26)24-11-4-1-5-12-24/h2-3,6-10,13-14H,1,4-5,11-12,15-16H2
  • InChiKey: FHHDNJXOKLCCIX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(1-piperidyl)ethanone
  • 2-[3-[(3-fluorophenyl)methylsulfonyl]-1-indolyl]-1-(1-piperidyl)ethanone
  • 2-[3-(3-fluorobenzyl)sulfonylindol-1-yl]-1-piperidino-ethanone
  • 2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-1-piperidin-1-yl-ethanone

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 tuberculosis Probable conserved integral membrane protein 0.0045 0.0752 0.2462
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0031 0.0049
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0176 0.5029 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0031 0.0049
Trypanosoma cruzi peptidase with unknown catalytic mechanism (family U48) 0.0217 0.6361 1
Brugia malayi Probable ClpP-like protease 0.0176 0.5029 0.7906
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0061 0.1269 0.121
Entamoeba histolytica Ran family GTPase 0.0023 0.0031 0.0049
Toxoplasma gondii CAAX amino terminal protease family protein 0.0045 0.0752 0.1441
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0039 0.0544 0.0544
Toxoplasma gondii hypothetical protein 0.0061 0.1269 0.2477
Brugia malayi MH2 domain containing protein 0.0135 0.3666 0.5763
Plasmodium vivax importin-beta 2, putative 0.0031 0.0296 0.053
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0061 0.1269 0.2477
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0296 0.0465
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.0116 0.3053 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0106 0.0167
Entamoeba histolytica hypothetical protein 0.0039 0.0544 0.0856
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0176 0.5029 1
Schistosoma mansoni ran 0.0023 0.0031 0.0031
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0296 0.0465
Schistosoma mansoni peptidase Clp (S14 family) 0.0176 0.5029 0.5029
Brugia malayi CAAX amino terminal protease family protein 0.0217 0.6361 1
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0176 0.5029 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0031 0.0049
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.0116 0.3053 0.4744
Mycobacterium tuberculosis Probable conserved integral membrane protein 0.0045 0.0752 0.2462
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0106 0.0167
Loa Loa (eye worm) hypothetical protein 0.0112 0.2928 0.2928
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0031 0.0049
Loa Loa (eye worm) hypothetical protein 0.0217 0.6361 0.6361
Echinococcus granulosus peptidase Clp S14 family 0.0116 0.3053 0.3053
Brugia malayi Trypsin family protein 0.0112 0.2928 0.4602
Echinococcus granulosus importin subunit beta 1 0.0031 0.0296 0.0296
Schistosoma mansoni hypothetical protein 0.0329 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0106 0.0167
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0176 0.5029 1
Loa Loa (eye worm) transcription factor SMAD2 0.0135 0.3666 0.3666
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0176 0.5029 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0106 0.0167
Schistosoma mansoni hypothetical protein 0.0039 0.0544 0.0544
Mycobacterium tuberculosis Probable integral membrane protein 0.0045 0.0752 0.2462
Entamoeba histolytica hypothetical protein 0.0039 0.0544 0.0856
Entamoeba histolytica CAAX amino terminal protease family 0.0045 0.0752 0.1182
Leishmania major CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48) 0.0217 0.6361 1
Giardia lamblia Hypothetical protein 0.0217 0.6361 1
Toxoplasma gondii hypothetical protein 0.0045 0.0752 0.1441
Echinococcus multilocularis snurportin 1 0.0329 1 1
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0176 0.5029 0.5
Trypanosoma brucei CAAX amino terminal protease, putative 0.0217 0.6361 1
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0061 0.1269 0.2477
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0031 0.0031
Echinococcus multilocularis CAAX prenyl protease 2 0.0217 0.6361 0.6361
Trichomonas vaginalis Clan U, family U48, CaaX prenyl peptidase 2-like 0.0217 0.6361 1
Trichomonas vaginalis ran, putative 0.0023 0.0031 0.0049
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0217 0.6361 0.6361
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0031 0.0049
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0176 0.5029 1
Schistosoma mansoni transcription factor LCR-F1 0.0039 0.0544 0.0544
Brugia malayi Importin beta-1 subunit 0.0031 0.0296 0.0465
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0176 0.5029 0.5029
Mycobacterium tuberculosis Conserved hypothetical protein 0.0045 0.0752 0.2462
Loa Loa (eye worm) MH2 domain-containing protein 0.0135 0.3666 0.3666
Entamoeba histolytica hypothetical protein 0.0025 0.0106 0.0167
Schistosoma mansoni family U48 unassigned peptidase (U48 family) 0.0217 0.6361 0.6361
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0031 0.0031
Leishmania major GTP-binding protein, putative 0.0023 0.0031 0.0049
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0296 0.0296
Plasmodium falciparum importin beta, putative 0.0031 0.0296 0.053
Loa Loa (eye worm) hypothetical protein 0.0176 0.5029 0.5029
Loa Loa (eye worm) hypothetical protein 0.0031 0.0296 0.0296
Mycobacterium ulcerans hypothetical protein 0.0045 0.0752 0.1494
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0031 0.0031
Onchocerca volvulus 0.0112 0.2928 1
Entamoeba histolytica hypothetical protein 0.0039 0.0544 0.0856
Loa Loa (eye worm) hypothetical protein 0.0112 0.2928 0.2928
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0176 0.5029 1
Brugia malayi RNA, U transporter 1 0.0088 0.2145 0.3372
Entamoeba histolytica hypothetical protein 0.0039 0.0544 0.0856
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0176 0.5029 1
Entamoeba histolytica CAAX prenyl protease family 0.0217 0.6361 1
Entamoeba histolytica CAAX amino terminal protease family 0.0045 0.0752 0.1182
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0176 0.5029 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0112 0.2928 0.2928
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0296 0.053
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0176 0.5029 0.5029
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0176 0.5029 1
Echinococcus multilocularis peptidase Clp (S14 family) 0.0116 0.3053 0.3053
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0039 0.0544 0.0544
Leishmania major importin beta-1 subunit, putative 0.0025 0.0106 0.0167
Toxoplasma gondii hypothetical protein 0.0045 0.0752 0.1441
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0329 1 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.0116 0.3053 1
Mycobacterium ulcerans hypothetical protein 0.0045 0.0752 0.1494
Trypanosoma cruzi CAAX prenyl protease 2, putative 0.0217 0.6361 1
Schistosoma mansoni importin beta-1 0.0031 0.0296 0.0296
Mycobacterium ulcerans integral membrane protein 0.0045 0.0752 0.1494
Schistosoma mansoni ran 0.0023 0.0031 0.0031
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0112 0.2928 0.2928
Plasmodium falciparum protease, putative 0.0045 0.0752 0.1441
Plasmodium vivax protease, putative 0.0045 0.0752 0.1441
Echinococcus granulosus CAAX prenyl protease 2 0.0217 0.6361 0.6361
Brugia malayi hypothetical protein 0.0039 0.0544 0.0856

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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