Detailed information for compound 652921

Basic information

Technical information
  • TDR Targets ID: 652921
  • Name: 3-[[4-[(4-fluorophenyl)methyl]piperazin-1-yl] methyl]-1H-indole
  • MW: 323.407 | Formula: C20H22FN3
  • H donors: 1 H acceptors: 0 LogP: 3.11 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Fc1ccc(cc1)CN1CCN(CC1)Cc1c[nH]c2c1cccc2
  • InChi: 1S/C20H22FN3/c21-18-7-5-16(6-8-18)14-23-9-11-24(12-10-23)15-17-13-22-20-4-2-1-3-19(17)20/h1-8,13,22H,9-12,14-15H2
  • InChiKey: RATADBWLJOREEE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[[4-[(4-fluorophenyl)methyl]-1-piperazinyl]methyl]-1H-indole
  • 3-[[4-(4-fluorobenzyl)piperazin-1-yl]methyl]-1H-indole
  • STK211946
  • EU-0071204
  • 3-[4-(4-Fluoro-benzyl)-piperazin-1-ylmethyl]-1H-indole
  • BAS 01234793
  • Oprea1_578664
  • Oprea1_815928

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
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0093 0.0159 0.0471
Brugia malayi Matrixin family protein 0.0327 0.0734 0.292
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0104 0.0686
Plasmodium vivax hypothetical protein, conserved 0.0028 0 0.5
Giardia lamblia PHD finger protein 15 0.0028 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0104 0.0104
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0348 0.0785 0.5
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0647 0.1519 1
Brugia malayi Hemopexin family protein 0.0405 0.0925 0.368
Brugia malayi Matrixin family protein 0.0327 0.0734 0.292
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.001 0.004
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0093 0.0159 0.0159
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0103 0.0408
Echinococcus granulosus jumonji domain containing protein 0.004 0.0027 0.0081
Onchocerca volvulus 0.0049 0.005 0.0209
Loa Loa (eye worm) jmjC domain-containing protein 0.0034 0.0015 0.0058
Loa Loa (eye worm) hypothetical protein 0.0103 0.0182 0.0725
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0103 0.0182 0.0725
Echinococcus multilocularis jumonji domain containing protein 0.004 0.0027 0.0027
Echinococcus multilocularis geminin 0.0332 0.0745 0.0745
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0327 0.0734 0.292
Onchocerca volvulus 0.0327 0.0734 0.3093
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.001 0.003
Plasmodium falciparum phd finger protein, putative 0.0028 0 0.5
Brugia malayi Matrixin family protein 0.1052 0.2514 1
Mycobacterium ulcerans hydrolase 0.0348 0.0785 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.001 0.001
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0015 0.0097
Onchocerca volvulus Matrilysin homolog 0.0327 0.0734 0.3093
Echinococcus granulosus lysine specific demethylase 5A 0.0034 0.0015 0.0044
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0103 0.0182 0.0725
Loa Loa (eye worm) hypothetical protein 0.0327 0.0734 0.292
Echinococcus multilocularis GPCR, family 2 0.0032 0.001 0.001
Loa Loa (eye worm) hypothetical protein 0.0147 0.0292 0.1161
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0104 0.0309
Loa Loa (eye worm) hypothetical protein 0.0049 0.005 0.0197
Echinococcus multilocularis lysine specific demethylase 5A 0.0034 0.0015 0.0015
Onchocerca volvulus 0.0405 0.0925 0.3897
Echinococcus multilocularis tumor protein p63 0.0332 0.0746 0.0746
Loa Loa (eye worm) hypothetical protein 0.0049 0.005 0.0198
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.1095 0.2618 0.5
Brugia malayi Matrixin family protein 0.0327 0.0734 0.292
Entamoeba histolytica hypothetical protein 0.0071 0.0104 0.5
Schistosoma mansoni hypothetical protein 0.007 0.0103 0.0675
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.0074 0.0296
Echinococcus granulosus geminin 0.0332 0.0745 0.2211
Loa Loa (eye worm) hypothetical protein 0.0348 0.0785 0.3122
Schistosoma mansoni jumonji/arid domain-containing protein 0.0034 0.0015 0.0097
Schistosoma mansoni jumonji domain containing protein 0.0074 0.0112 0.0736
Schistosoma mansoni hypothetical protein 0.0332 0.0745 0.4904
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0348 0.0785 0.3122
Loa Loa (eye worm) matrix metalloproteinase 0.0327 0.0734 0.292
Schistosoma mansoni polycystin 1-related 0.0096 0.0166 0.1096
Onchocerca volvulus Matrix metalloproteinase homolog 0.0675 0.1589 0.6693
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0103 0.0182 0.0725
Brugia malayi Matrixin family protein 0.0327 0.0734 0.292
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.001 0.001
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.005 0.0327
Schistosoma mansoni hypothetical protein 0.0071 0.0104 0.0686
Brugia malayi Latrophilin receptor protein 2 0.0032 0.001 0.004
Brugia malayi jmjC domain containing protein 0.0034 0.0015 0.0058
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.14 0.3369 0.3369
Schistosoma mansoni hypothetical protein 0.0032 0.001 0.0066
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.001 0.004
Onchocerca volvulus 0.0147 0.0292 0.123
Entamoeba histolytica hypothetical protein 0.0071 0.0104 0.5
Schistosoma mansoni hypothetical protein 0.0405 0.0925 0.609
Loa Loa (eye worm) hypothetical protein 0.0647 0.1519 0.6043
Brugia malayi hypothetical protein 0.0071 0.0104 0.0415
Entamoeba histolytica hypothetical protein 0.0071 0.0104 0.5
Echinococcus granulosus tumor protein p63 0.0332 0.0746 0.2215
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.001 0.003
Onchocerca volvulus Matrilysin homolog 0.0995 0.2374 1
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.14 0.3369 1
Schistosoma mansoni hypothetical protein 0.0032 0.001 0.0066
Schistosoma mansoni hypothetical protein 0.0032 0.001 0.0066
Brugia malayi hypothetical protein 0.0147 0.0292 0.1161
Loa Loa (eye worm) matrixin family protein 0.1052 0.2514 1
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.022 0.0471 0.3101
Brugia malayi jmjC domain containing protein 0.0093 0.0159 0.0631
Loa Loa (eye worm) hypothetical protein 0.0032 0.001 0.004
Schistosoma mansoni hypothetical protein 0.0032 0.001 0.0066
Loa Loa (eye worm) matrixin family protein 0.0675 0.1589 0.632
Schistosoma mansoni hypothetical protein 0.0332 0.0745 0.4904
Loa Loa (eye worm) hypothetical protein 0.007 0.0103 0.0408
Echinococcus granulosus GPCR family 2 0.0032 0.001 0.003
Mycobacterium leprae PROBABLE HYDROLASE 0.0348 0.0785 0.5
Entamoeba histolytica hypothetical protein 0.0071 0.0104 0.5

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 70 % Inhibition of Tet-induced Flag-tagged mouse TRPM7 expressed in HEK293 cells assessed as inhibition of channel-mediated cell death in presence of Mg2+ incubated for 24 to 48 hrs by propidium iodide uptake 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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