Detailed information for compound 1149800

Basic information

Technical information
  • TDR Targets ID: 1149800
  • Name: N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7- fluoroquinoline-4-carboxamide
  • MW: 427.27 | Formula: C20H16BrFN4O
  • H donors: 3 H acceptors: 2 LogP: 3.11 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NCCNC(=O)c1cc(nc2c1ccc(c2)F)c1c[nH]c2c1cc(Br)cc2
  • InChi: 1S/C20H16BrFN4O/c21-11-1-4-17-14(7-11)16(10-25-17)19-9-15(20(27)24-6-5-23)13-3-2-12(22)8-18(13)26-19/h1-4,7-10,25H,5-6,23H2,(H,24,27)
  • InChiKey: ZHVJDIMNKRBXQL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-fluoro-quinoline-4-carboxamide
  • N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-fluoro-4-quinolinecarboxamide
  • N-(2-aminoethyl)-2-(5-bromo-1H-indol-3-yl)-7-fluoro-cinchoninamide

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
Trypanosoma brucei calmodulin 0.0014 0 0.5
Trypanosoma cruzi calmodulin, putative 0.0014 0 0.5
Toxoplasma gondii deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0083 1 1
Leishmania major calmodulin, putative 0.0014 0 0.5
Trichomonas vaginalis deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0083 1 1
Onchocerca volvulus Calmodulin homolog 0.0014 0 0.5
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0083 1 1
Giardia lamblia Calmodulin 0.0014 0 0.5
Mycobacterium ulcerans deoxycytidine triphosphate deaminase 0.0029 0.2208 0.5
Entamoeba histolytica hypothetical protein 0.0054 0.5856 0.5856
Mycobacterium tuberculosis Probable deoxycytidine triphosphate deaminase Dcd (dCTP deaminase) 0.0029 0.2208 0.5
Trypanosoma brucei calmodulin 0.0014 0 0.5
Trypanosoma cruzi calmodulin, putative 0.0014 0 0.5
Trypanosoma cruzi calmodulin, putative 0.0014 0 0.5
Entamoeba histolytica hypothetical protein 0.0029 0.2208 0.2208
Leishmania major calmodulin, putative 0.0014 0 0.5
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0083 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0083 1 1
Trypanosoma cruzi calmodulin 0.0014 0 0.5
Plasmodium falciparum deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0083 1 1
Trypanosoma cruzi calmodulin 0.0014 0 0.5
Treponema pallidum deoxyuridine 5'-triphosphate nucleotidohydrolase (dut) 0.0083 1 0.5
Wolbachia endosymbiont of Brugia malayi dUTPase 0.0083 1 1
Chlamydia trachomatis deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0083 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, putative 0.0029 0.2208 0.2208
Mycobacterium ulcerans deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0029 0.2208 0.5
Entamoeba histolytica deoxycytidine triphosphate deaminase, putative 0.0029 0.2208 0.2208
Mycobacterium leprae PROBABLE DEOXYCYTIDINE TRIPHOSPHATE DEAMINASE DCD (DCTP DEAMINASE) 0.0029 0.2208 0.5
Entamoeba histolytica hypothetical protein 0.0083 1 1
Entamoeba histolytica hypothetical protein 0.0054 0.5856 0.5856
Schistosoma mansoni deoxyuridine 5'-triphosphate nucleotidohydrolase 0.0083 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0083 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase, mitochondrial precursor, putative 0.0083 1 1
Trypanosoma brucei calmodulin 0.0014 0 0.5
Plasmodium vivax deoxyuridine 5'-triphosphate nucleotidohydrolase, putative 0.0083 1 1
Entamoeba histolytica hypothetical protein 0.0083 1 1
Entamoeba histolytica deoxyuridine 5-triphosphate nucleotidohydrolase domain containing protein 0.0083 1 1
Leishmania major calmodulin, putative 0.0014 0 0.5
Echinococcus granulosus dUTP pyrophosphatase 0.0083 1 1
Loa Loa (eye worm) dUTP diphosphatase 0.0083 1 1
Echinococcus multilocularis dUTP pyrophosphatase 0.0083 1 1
Trypanosoma brucei calmodulin 0.0014 0 0.5

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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