Detailed information for compound 1022113

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 421.443 | Formula: C24H23NO6
  • H donors: 2 H acceptors: 2 LogP: 4.58 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(cc(c1OC)OC)C(c1c(O)ccc2c1c1ccccc1o2)NC(=O)C
  • InChi: 1S/C24H23NO6/c1-13(26)25-23(14-11-19(28-2)24(30-4)20(12-14)29-3)22-16(27)9-10-18-21(22)15-7-5-6-8-17(15)31-18/h5-12,23,27H,1-4H3,(H,25,26)
  • InChiKey: LKZISBPUHVZYKQ-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
Trichomonas vaginalis esterase, putative 0.0036 0.108 0.5
Onchocerca volvulus 0.0036 0.108 1
Mycobacterium ulcerans lipase LipD 0.0036 0.108 0.5
Schistosoma mansoni hypothetical protein 0.0075 0.2918 0.4289
Mycobacterium leprae Probable lipase LipE 0.0036 0.108 0.5
Entamoeba histolytica hypothetical protein 0.0075 0.2918 0.5
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0129 0.5435 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.108 0.2197
Brugia malayi beta-lactamase family protein 0.0036 0.108 0.2054
Brugia malayi beta-lactamase 0.0036 0.108 0.2054
Brugia malayi intermediate filament protein 0.0027 0.0664 0.1193
Echinococcus granulosus intermediate filament protein 0.0027 0.0664 0.1185
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.108 0.0791
Brugia malayi hypothetical protein 0.0075 0.2918 0.5864
Entamoeba histolytica hypothetical protein 0.0075 0.2918 0.5
Toxoplasma gondii ABC1 family protein 0.0036 0.108 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.108 0.2197
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.4913 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.014 0.5918 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0089 0.018
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0628 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0628 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.108 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.0628 0.1278
Echinococcus multilocularis lamin 0.0027 0.0664 0.1088
Loa Loa (eye worm) hypothetical protein 0.0036 0.108 0.2197
Schistosoma mansoni transcription factor LCR-F1 0.0075 0.2918 0.4289
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.108 0.1793
Loa Loa (eye worm) hypothetical protein 0.0013 0.0023 0.0046
Brugia malayi MH2 domain containing protein 0.0118 0.4913 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.108 0.2197
Loa Loa (eye worm) hypothetical protein 0.0036 0.108 0.2197
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.108 0.1953
Loa Loa (eye worm) beta-lactamase 0.0036 0.108 0.2197
Loa Loa (eye worm) hypothetical protein 0.0036 0.108 0.2197
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.108 0.0791
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0129 0.5435 0.9181
Brugia malayi hypothetical protein 0.0017 0.0201 0.0234
Leishmania major hypothetical protein, conserved 0.0036 0.108 1
Echinococcus multilocularis musashi 0.0027 0.0664 0.1088
Schistosoma mansoni thyroid hormone receptor 0.014 0.5918 1
Entamoeba histolytica hypothetical protein 0.0075 0.2918 0.5
Entamoeba histolytica hypothetical protein 0.0075 0.2918 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.0664 0.1352
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.108 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.108 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0075 0.2918 0.4911
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.108 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.108 0.5
Mycobacterium ulcerans beta-lactamase 0.0036 0.108 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0664 0.1352
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.108 0.2197
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.108 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.108 0.5
Echinococcus granulosus lamin dm0 0.0027 0.0664 0.1185
Onchocerca volvulus 0.0036 0.108 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.108 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.108 0.5
Schistosoma mansoni thyroid hormone receptor 0.014 0.5918 1
Onchocerca volvulus 0.0036 0.108 1
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0664 0.1193
Mycobacterium leprae conserved hypothetical protein 0.0036 0.108 0.5
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0664 0.1352
Brugia malayi hypothetical protein 0.0026 0.0628 0.1118
Brugia malayi beta-lactamase family protein 0.0036 0.108 0.2054
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.108 0.5
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.108 0.2054
Schistosoma mansoni hypothetical protein 0.0129 0.5435 0.9081
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0075 0.2918 0.5349
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.108 1
Mycobacterium ulcerans hypothetical protein 0.0036 0.108 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.4913 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0642 0.1306
Echinococcus multilocularis lamin dm0 0.0027 0.0664 0.1088
Echinococcus granulosus lamin 0.0027 0.0664 0.1185

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 12.5 ug ml-1 Antimicrobial activity against Mycobacterium tuberculosis H37Rv ATCC 27294 after 28 days by agar dilution method ChEMBL. 21665469

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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