Detailed information for compound 559751

Basic information

Technical information
  • TDR Targets ID: 559751
  • Name: 1-[3-(8-chlorobenzo[b][1]benzazepin-11-yl)pro pyl]-4-(dimethylamino)piperidine-4-carboxamid e
  • MW: 438.993 | Formula: C25H31ClN4O
  • H donors: 1 H acceptors: 1 LogP: 4.45 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc2c(c1)C=Cc1c(N2CCCN2CCC(CC2)(N(C)C)C(=O)N)cccc1
  • InChi: 1S/C25H31ClN4O/c1-28(2)25(24(27)31)12-16-29(17-13-25)14-5-15-30-22-7-4-3-6-19(22)8-9-20-18-21(26)10-11-23(20)30/h3-4,6-11,18H,5,12-17H2,1-2H3,(H2,27,31)
  • InChiKey: ZNISZLHVWJQLNH-UHFFFAOYSA-N  

Network

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Synonyms

  • 1-[3-(8-chloro-11-benzo[b][1]benzazepinyl)propyl]-4-(dimethylamino)-4-piperidinecarboxamide
  • 1-[3-(8-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-(dimethylamino)isonipecotamide
  • 1-[3-(8-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-dimethylaminopiperidine-4-carboxamide
  • 1-[3-(8-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-dimethylamino-piperidine-4-carboxamide
  • 1-[3-(8-chloro-11-benzo[b][1]benzazepinyl)propyl]-4-dimethylamino-4-piperidinecarboxamide
  • 1-[3-(8-chlorobenzo[b][1]benzazepin-11-yl)propyl]-4-dimethylamino-isonipecotamide

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
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.675 0.675
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.675 0.675
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.5064 0.5064
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0336 0.0336
Brugia malayi isocitrate dehydrogenase 0.0019 0.5064 0.5064
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0023 0.675 0.675
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.675 0.675
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0023 0.675 0.675
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.675 0.675
Echinococcus multilocularis dna polymerase kappa 0.0023 0.675 0.675
Trypanosoma cruzi DNA polymerase eta, putative 0.0007 0.0336 0.0336
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.5064 0.5064
Trypanosoma brucei unspecified product 0.0016 0.3864 0.3864
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0336 0.0336
Echinococcus multilocularis flap endonuclease 1 0.0031 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0336 0.0336
Loa Loa (eye worm) hypothetical protein 0.0023 0.675 0.675
Plasmodium vivax flap endonuclease 1, putative 0.0031 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.675 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0336 0.0336
Entamoeba histolytica Flap nuclease, putative 0.0031 1 1
Echinococcus multilocularis dna polymerase eta 0.0023 0.675 0.675
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.5064 0.5064
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0336 0.0336
Trypanosoma cruzi DNA polymerase eta, putative 0.0023 0.675 0.675
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0019 0.5064 0.5064
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.675 0.675
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 1 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.5064 0.5064
Giardia lamblia DINP protein human, muc B family 0.0023 0.675 0.675
Brugia malayi polk-prov protein 0.0007 0.0336 0.0336
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0336 0.0336
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.3864 0.3864
Echinococcus granulosus dna polymerase eta 0.0023 0.675 0.675
Loa Loa (eye worm) flap endonuclease-1 0.0031 1 1
Schistosoma mansoni flap endonuclease-1 0.0028 0.8794 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.5064 0.5064
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.675 0.675
Echinococcus granulosus flap endonuclease 1 0.0031 1 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0023 0.675 0.675
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.5064 0.5064
Schistosoma mansoni terminal deoxycytidyl transferase 0.0023 0.675 0.7676
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Brugia malayi Isocitrate dehydrogenase 0.0019 0.5064 0.5064
Trypanosoma brucei unspecified product 0.0016 0.3864 0.3864
Trypanosoma cruzi DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.675 0.675
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 1 1
Giardia lamblia DNA damage repair protein 0.0007 0.0336 0.0336
Echinococcus granulosus dna polymerase kappa 0.0023 0.675 0.675
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0336 0.0336
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0336 0.0336
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.5064 0.5064
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0023 0.675 0.675
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.5064 0.5064
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.675 0.675
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.5064 0.5064
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.675 1
Giardia lamblia Flap structure-specific endonuclease 0.0031 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.3864 0.3864
Loa Loa (eye worm) isocitrate dehydrogenase 0.0019 0.5064 0.5064
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0023 0.675 0.7676
Trypanosoma brucei chrX additional, unordered contigs 0.0007 0.0336 0.0336
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0336 0.0382
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0336 0.0336
Toxoplasma gondii isocitrate dehydrogenase 0.0019 0.5064 0.5064
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0336 0.0336
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.675 0.675
Leishmania major DNA damage repair protein, putative 0.0007 0.0336 0.0336
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0019 0.5064 0.5064
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0336 0.0336
Leishmania major DNA polymerase kappa, putative 0.0007 0.0336 0.0336
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.675 0.675
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.3864 0.3864
Leishmania major DNA polymerase kappa, putative 0.0023 0.675 0.675
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.675 1
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0336 0.0336
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 1 1
Brugia malayi ImpB/MucB/SamB family protein 0.0023 0.675 0.675
Leishmania major DNA polymerase eta, putative 0.0007 0.0336 0.0336
Plasmodium falciparum flap endonuclease 1 0.0031 1 1
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0019 0.5064 0.5064
Schistosoma mansoni DNA polymerase eta 0.0023 0.675 0.7676
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0019 0.5064 0.5064
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.675 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.675 0.675
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0019 0.5064 0.5064
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0336 0.0336
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.5064 0.5758
Trypanosoma brucei unspecified product 0.0023 0.675 0.675
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0336 0.0336
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0336 0.0336
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 1 1
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0336 0.0336
Leishmania major DNA polymerase eta, putative 0.0023 0.675 0.675

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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