Detailed information for compound 829501

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 396.415 | Formula: C21H21FN4O3
  • H donors: 1 H acceptors: 2 LogP: 2.54 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nn(CCCC(=O)NCc2ccc(cc2)F)c(=O)c2n1c1ccoc1c2
  • InChi: 1S/C21H21FN4O3/c1-2-19-24-25(21(28)17-12-18-16(26(17)19)9-11-29-18)10-3-4-20(27)23-13-14-5-7-15(22)8-6-14/h5-9,11-12H,2-4,10,13H2,1H3,(H,23,27)
  • InChiKey: KFAYHWKUMVUOKX-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 Diaminopimelate decarboxylase LysA (DAP decarboxylase) 0.0147 1 0.5
Trichomonas vaginalis ornithine decarboxylase, putative 0.0053 0.3187 0.2113
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0147 1 1
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0027 0.1361 0.1355
Entamoeba histolytica ornithine decarboxylase, putative 0.0147 1 1
Onchocerca volvulus 0.0147 1 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.3491 0.2465
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0147 1 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0027 0.1361 1
Trichomonas vaginalis pyridoxal-dependent decarboxylase, putative 0.0147 1 1
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0027 0.1361 1
Mycobacterium leprae PROBABLE DIAMINOPIMELATE DECARBOXYLASE LYSA (DAP DECARBOXYLASE) 0.0057 0.3491 0.5
Toxoplasma gondii diaminopimelate decarboxylase 0.0147 1 1
Trichomonas vaginalis ornithine decarboxylase, putative 0.0147 1 1
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0027 0.1361 0.1355
Loa Loa (eye worm) pyridoxal-dependent decarboxylase 0.0147 1 1
Trypanosoma brucei ornithine decarboxylase 0.0147 1 1
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0147 1 1
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0027 0.1361 0.1355
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0027 0.1361 1
Giardia lamblia Ornithine decarboxylase 0.0147 1 1
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0027 0.1361 0.1355
Leishmania major ornithine decarboxylase, putative 0.0147 1 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0027 0.1361 0.1355
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0027 0.1361 0.1355
Trichomonas vaginalis ornithine decarboxylase, putative 0.0147 1 1
Mycobacterium ulcerans diaminopimelate decarboxylase LysA 0.0147 1 1
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0147 1 1
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0027 0.1361 1
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0027 0.1361 1

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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