Detailed information for compound 1282462

Basic information

Technical information
  • TDR Targets ID: 1282462
  • Name: NCGC00113287-01
  • MW: 438.476 | Formula: C23H26N4O5
  • H donors: 1 H acceptors: 2 LogP: 2.39 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1nn(CCCC(=O)NCc2ccc(c(c2)OC)OC)c(=O)c2n1c1ccoc1c2
  • InChi: 1S/C23H26N4O5/c1-4-21-25-26(23(29)17-13-19-16(27(17)21)9-11-32-19)10-5-6-22(28)24-14-15-7-8-18(30-2)20(12-15)31-3/h7-9,11-13H,4-6,10,14H2,1-3H3,(H,24,28)
  • InChiKey: GHAGKUQUWRODTG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • C794-0297

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 cruzi apurinic/apyrimidinic endonuclease 0.002 0.0563 0.5
Loa Loa (eye worm) hypothetical protein 0.0053 0.6323 0.6323
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.2077 0.2077
Loa Loa (eye worm) hypothetical protein 0.0036 0.3396 0.3396
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0563 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0563 0.0563
Schistosoma mansoni lamin 0.0029 0.2077 0.2077
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0563 0.5
Schistosoma mansoni intermediate filament proteins 0.0029 0.2077 0.2077
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.6323 0.6323
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.4319 0.3981
Echinococcus granulosus lamin 0.0029 0.2077 0.2077
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0563 0.0563
Schistosoma mansoni ap endonuclease 0.002 0.0563 0.0563
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.4319 0.3981
Echinococcus granulosus chromobox protein 1 0.0074 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0563 0.5
Echinococcus multilocularis chromobox protein 1 0.0074 1 1
Echinococcus multilocularis musashi 0.0029 0.2077 0.2077
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.3749 0.3749
Schistosoma mansoni hypothetical protein 0.0036 0.3396 0.3396
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.2204 0.1739
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0563 0.5
Onchocerca volvulus 0.0033 0.2754 0.2424
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.487 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.3396 0.3396
Schistosoma mansoni chromobox protein 0.0074 1 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.2077 0.2077
Schistosoma mansoni lamin 0.0029 0.2077 0.2077
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0563 0.0563
Schistosoma mansoni hypothetical protein 0.0038 0.3749 0.3749
Loa Loa (eye worm) hypothetical protein 0.0028 0.1985 0.1985
Entamoeba histolytica hypothetical protein 0.0038 0.3749 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.6323 0.6323
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0563 0.5
Echinococcus granulosus intermediate filament protein 0.0029 0.2077 0.2077
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0563 0.5
Echinococcus granulosus lamin dm0 0.0029 0.2077 0.2077
Brugia malayi intermediate filament protein 0.0029 0.2077 0.2077
Trichomonas vaginalis chromobox protein, putative 0.0045 0.487 0.4564
Loa Loa (eye worm) heterochromatin protein 1 0.0074 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0563 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.2204 0.1739
Echinococcus multilocularis lamin 0.0029 0.2077 0.2077
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0563 0.5
Loa Loa (eye worm) hypothetical protein 0.0042 0.4319 0.4319
Trichomonas vaginalis chromobox protein, putative 0.0074 1 1
Trichomonas vaginalis chromobox protein, putative 0.0074 1 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0563 0.5
Echinococcus granulosus chromobox protein 1 0.0074 1 1
Entamoeba histolytica hypothetical protein 0.0038 0.3749 1
Schistosoma mansoni chromobox protein 0.0074 1 1
Schistosoma mansoni ap endonuclease 0.002 0.0563 0.0563
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.3749 0.3749
Echinococcus multilocularis lamin dm0 0.0029 0.2077 0.2077
Echinococcus multilocularis chromobox protein 1 0.0074 1 1
Loa Loa (eye worm) hypothetical protein 0.0029 0.2077 0.2077
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.3749 0.3749
Brugia malayi chromobox protein homolog 3 0.0042 0.4319 0.4319
Entamoeba histolytica hypothetical protein 0.0038 0.3749 1
Toxoplasma gondii exonuclease III APE 0.002 0.0563 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0563 0.0563
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.4319 0.803
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0563 0.5
Loa Loa (eye worm) intermediate filament protein 0.0029 0.2077 0.2077
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.6323 0.6323
Entamoeba histolytica hypothetical protein 0.0038 0.3749 1
Brugia malayi hypothetical protein 0.0038 0.3749 0.3749
Loa Loa (eye worm) hypothetical protein 0.0033 0.2754 0.2754
Trichomonas vaginalis chromobox protein, putative 0.0045 0.487 0.4564

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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.
 
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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