Detailed information for compound 430347

Basic information

Technical information
  • TDR Targets ID: 430347
  • Name: 2-hydroxy-6-[(8E)-8-(pyridine-4-carbonylhydra zinylidene)octyl]benzoic acid
  • MW: 383.441 | Formula: C21H25N3O4
  • H donors: 3 H acceptors: 5 LogP: 4.24 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccncc1)N/N=C/CCCCCCCc1cccc(c1C(=O)O)O
  • InChi: 1S/C21H25N3O4/c25-18-10-7-9-16(19(18)21(27)28)8-5-3-1-2-4-6-13-23-24-20(26)17-11-14-22-15-12-17/h7,9-15,25H,1-6,8H2,(H,24,26)(H,27,28)/b23-13+
  • InChiKey: IXIZKBLFGKXQTP-YDZHTSKRSA-N  

Network

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Synonyms

  • 2-hydroxy-6-[(8E)-8-(pyridine-4-carbonylhydrazono)octyl]benzoic acid
  • 2-hydroxy-6-[(8E)-8-[[oxo(4-pyridyl)methyl]hydrazono]octyl]benzoic acid
  • 2-hydroxy-6-[(8E)-8-(pyridin-4-ylcarbonylhydrazinylidene)octyl]benzoic acid
  • 2-hydroxy-6-[(8E)-8-(isonicotinoylhydrazono)octyl]benzoic acid
  • 2-hydroxy-6-[(8E)-8-[[oxo-(4-pyridyl)methyl]hydrazono]octyl]benzoic acid
  • 4-Pyridinecarboxylic acid, 4-[[(1E)-8-(2-carboxy-3-hydroxyphenyl)octylidene]hydrazide]
  • AIDS-439396
  • AIDS439396

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 ulcerans amidase 0.026 0.0499 1
Onchocerca volvulus 0.0851 0.3456 0.5
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.026 0.0499 0.5
Mycobacterium ulcerans amidase 0.026 0.0499 1
Schistosoma mansoni fatty-acid amide hydrolase 0.2158 1 1
Trypanosoma brucei lipase domain protein, putative 0.0851 0.3456 1
Trypanosoma cruzi hypothetical protein, conserved 0.0851 0.3456 1
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.026 0.0499 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.2158 1 1
Loa Loa (eye worm) hypothetical protein 0.2158 1 1
Brugia malayi Lipase family protein 0.0851 0.3456 0.3113
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.026 0.0499 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.026 0.0499 0.5
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.026 0.0499 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.2158 1 1
Schistosoma mansoni amidase 0.2158 1 1
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.026 0.0499 0.5
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0851 0.3456 0.3113
Trichomonas vaginalis lipase containing protein, putative 0.0851 0.3456 0.5
Mycobacterium ulcerans amidase 0.026 0.0499 1
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.026 0.0499 0.5
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.026 0.0499 1
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0851 0.3456 0.3113
Loa Loa (eye worm) lipase 0.0851 0.3456 0.3113
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.026 0.0499 1
Mycobacterium ulcerans amidase 0.026 0.0499 1
Leishmania major hypothetical protein, conserved 0.0851 0.3456 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.2158 1 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.026 0.0499 0.5
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.026 0.0499 0.5
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.026 0.0499 1
Mycobacterium ulcerans amidase 0.026 0.0499 1
Mycobacterium ulcerans peptide amidase, GatA 0.026 0.0499 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.2158 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0851 0.3456 1
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.026 0.0499 1
Trichomonas vaginalis lipase containing protein, putative 0.0851 0.3456 0.5
Trypanosoma brucei lipase domain protein, putative 0.0851 0.3456 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antimicrobial activity against Mycobacterium tuberculosis H37Rv at 0.5 ug/ml after 6 weeks ChEMBL. 17112641
Activity (functional) Antimicrobial activity against Mycobacterium tuberculosis H37Rv at 10 ug/ml after 6 weeks ChEMBL. 17112641
Activity (functional) 0 Antimicrobial activity against Mycobacterium tuberculosis H37Rv at 10 ug/ml after 6 weeks ChEMBL. 17112641
Activity (functional) 0 Antimicrobial activity against Mycobacterium smegmatis mc2 155 after 24 hrs at 0.5 ug/ml by broth dilution method ChEMBL. 17112641
Activity (functional) 0 Antimicrobial activity against Mycobacterium tuberculosis H37Rv at 0.5 ug/ml after 6 weeks ChEMBL. 17112641
MIC (functional) = 4 ug ml-1 Antimicrobial activity against Mycobacterium smegmatis str. MC2 155 after 24 hrs by broth dilution method ChEMBL. 17112641

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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