Detailed information for compound 17851

Basic information

Technical information
  • TDR Targets ID: 17851
  • Name: 8-[(2,3-dihydroxybenzoyl)amino]octanoic acid
  • MW: 295.331 | Formula: C15H21NO5
  • H donors: 4 H acceptors: 5 LogP: 2.69 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCCCCCNC(=O)c1cccc(c1O)O
  • InChi: 1S/C15H21NO5/c17-12-8-6-7-11(14(12)20)15(21)16-10-5-3-1-2-4-9-13(18)19/h6-8,17,20H,1-5,9-10H2,(H,16,21)(H,18,19)
  • InChiKey: HZJLOOXLIJDQNY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-[[(2,3-dihydroxyphenyl)-oxomethyl]amino]octanoic acid
  • 8-[(2,3-dihydroxyphenyl)carbonylamino]octanoic acid
  • 8-[(2,3-dihydroxybenzoyl)amino]caprylic acid

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, putative 0.002 0.0588 1
Echinococcus multilocularis zinc finger protein 0.0021 0.0717 0.0545
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0588 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0588 0.0379
Echinococcus granulosus tar DNA binding protein 0.0067 0.8048 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.8048 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0588 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.4581 0.4769
Loa Loa (eye worm) hypothetical protein 0.0041 0.3864 0.3972
Brugia malayi PHD-finger family protein 0.0026 0.161 0.1086
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.1214 0.1186
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0588 0.5
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0894 0.0667
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0588 0.5
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0588 1
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0588 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0588 0.5
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.3456 0.4078
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.7437 0.9213
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0588 0.5
Schistosoma mansoni bromodomain containing protein 0.0067 0.8037 0.9986
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0294 0.0365
Loa Loa (eye worm) hypothetical protein 0.0075 0.9283 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0588 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.8048 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.8048 1
Schistosoma mansoni ap endonuclease 0.002 0.0588 0.073
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0294 0.0365
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0397 0.0114
Loa Loa (eye worm) hypothetical protein 0.0043 0.4261 0.4413
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.1214 0.1508
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0294 0.0365
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0588 0.0327
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.3456 0.4078
Loa Loa (eye worm) RNA binding protein 0.0067 0.8048 0.8626
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.1214 0.1186
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0588 0.0379
Schistosoma mansoni hypothetical protein 0.0022 0.0894 0.111
Brugia malayi TAR-binding protein 0.0067 0.8048 0.7926
Brugia malayi Bromodomain containing protein 0.0041 0.3853 0.3469
Loa Loa (eye worm) TAR-binding protein 0.0067 0.8048 0.8626
Echinococcus multilocularis tar DNA binding protein 0.0067 0.8048 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0294 0.0365
Schistosoma mansoni ap endonuclease 0.002 0.0588 0.073
Toxoplasma gondii exonuclease III APE 0.002 0.0588 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.8048 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0588 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.8048 0.8626
Brugia malayi RNA binding protein 0.0067 0.8048 0.7926
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0588 0.5
Echinococcus granulosus zinc finger protein 0.0021 0.0717 0.0545
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.8048 0.7926
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0588 0.5
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0588 0.5
Schistosoma mansoni tar DNA-binding protein 0.0067 0.8048 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.7437 0.9213
Schistosoma mansoni zinc finger protein 0.0021 0.0717 0.089

Activities

Activity type Activity value Assay description Source Reference
Log relative k' (ADMET) = 0.46 HPLC capacity factor (k') (artificial membrane chromatography) ChEMBL. 9544216

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

1 literature reference was collected for this gene.

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