Detailed information for compound 103286

Basic information

Technical information
  • TDR Targets ID: 103286
  • Name: 9H-fluoren-9-yl-[4-(2-hydroxy-3-quinolin-5-yl oxypropyl)piperazin-1-yl]methanone
  • MW: 479.57 | Formula: C30H29N3O3
  • H donors: 1 H acceptors: 3 LogP: 3.85 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(CN1CCN(CC1)C(=O)C1c2ccccc2c2c1cccc2)COc1cccc2c1cccn2
  • InChi: 1S/C30H29N3O3/c34-21(20-36-28-13-5-12-27-26(28)11-6-14-31-27)19-32-15-17-33(18-16-32)30(35)29-24-9-3-1-7-22(24)23-8-2-4-10-25(23)29/h1-14,21,29,34H,15-20H2
  • InChiKey: PLKYUVMSQZFXNQ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 9H-fluoren-9-yl-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazin-1-yl]methanone
  • 9H-fluoren-9-yl-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]-1-piperazinyl]methanone
  • 9H-fluoren-9-yl-[4-(2-hydroxy-3-quinolin-5-yloxy-propyl)piperazin-1-yl]methanone
  • 9H-fluoren-9-yl-[4-[2-hydroxy-3-(5-quinolyloxy)propyl]piperazino]methanone

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 Basic leucine zipper bZIP transcription 0.0043 0.0847 0.0847
Loa Loa (eye worm) hypothetical protein 0.0191 0.612 0.612
Onchocerca volvulus 0.0284 0.9442 1
Echinococcus multilocularis jun protein 0.0196 0.6311 0.6311
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0395 1
Brugia malayi hypothetical protein 0.0043 0.0847 0.0847
Schistosoma mansoni hypothetical protein 0.02 0.6451 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0395 0.0395
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0395 1
Echinococcus multilocularis geminin 0.02 0.6451 0.6451
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0395 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0395 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0019 0 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0847 0.5
Schistosoma mansoni hypothetical protein 0.02 0.6451 1
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0847 0.1313
Entamoeba histolytica hypothetical protein 0.0043 0.0847 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0196 0.6311 0.6311
Schistosoma mansoni jun-related protein 0.016 0.5004 0.7757
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0395 1
Echinococcus granulosus geminin 0.02 0.6451 0.6451
Brugia malayi hypothetical protein 0.003 0.0395 0.0395
Loa Loa (eye worm) MH2 domain-containing protein 0.0141 0.4349 0.4349
Echinococcus granulosus zinc finger transcription factor gli2 0.03 1 1
Brugia malayi MH2 domain containing protein 0.0141 0.4349 0.4349
Brugia malayi hypothetical protein 0.0154 0.4813 0.4813
Loa Loa (eye worm) zinc finger protein 0.03 1 1
Brugia malayi Pax transcription factor protein 2 0.0284 0.9442 0.9442
Schistosoma mansoni hypothetical protein 0.016 0.5004 0.7757
Schistosoma mansoni hypothetical protein 0.0043 0.0847 0.1313
Brugia malayi bZIP transcription factor family protein 0.0196 0.6311 0.6311
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0395 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0847 0.0847
Loa Loa (eye worm) transcription factor SMAD2 0.0141 0.4349 0.4349
Entamoeba histolytica hypothetical protein 0.0043 0.0847 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0395 1
Leishmania major hypothetical protein, conserved 0.003 0.0395 1
Loa Loa (eye worm) pax transcription factor protein 2 0.0284 0.9442 0.9442
Echinococcus multilocularis zinc finger transcription factor gli2 0.03 1 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0196 0.6311 0.6311
Entamoeba histolytica hypothetical protein 0.0043 0.0847 0.5
Echinococcus granulosus jun protein 0.0196 0.6311 0.6311
Brugia malayi hypothetical protein 0.0019 0.002 0.002

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 213 % MDR-reversing activity in K562/ADM cells at 1 microM concentration of [3H]-VCR (vincristine), activity expressed relative to verapamil. ChEMBL. 9207946
Activity (functional) = 213 % MDR-reversing activity in K562/ADM cells at 1 microM concentration of [3H]-VCR (vincristine), activity expressed relative to verapamil. ChEMBL. 9207946

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

1 literature reference was collected for this gene.

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