Detailed information for compound 870745

Basic information

Technical information
  • TDR Targets ID: 870745
  • Name: 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N- [(4-propan-2-ylphenyl)methylideneamino]acetam ide
  • MW: 330.342 | Formula: C15H18N6O3
  • H donors: 4 H acceptors: 6 LogP: 1.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CNc1nnc(nc1O)O)N/N=C/c1ccc(cc1)C(C)C
  • InChi: 1S/C15H18N6O3/c1-9(2)11-5-3-10(4-6-11)7-17-19-12(22)8-16-13-14(23)18-15(24)21-20-13/h3-7,9H,8H2,1-2H3,(H,16,20)(H,19,22)(H2,18,21,23,24)/b17-7+
  • InChiKey: DAMDBEAZQDMTAX-REZTVBANSA-N  

Network

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Synonyms

  • 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(4-isopropylphenyl)methyleneamino]acetamide
  • 2-[(3,5-diketo-2H-1,2,4-triazin-6-yl)amino]-N-[(4-isopropylbenzylidene)amino]acetamide
  • 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-[(4-propan-2-ylphenyl)methylideneamino]ethanamide
  • ST022619
  • ZINC00056120

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
Schistosoma mansoni carbonic anhydrase 0.0383 0.1088 0.1088
Loa Loa (eye worm) hypothetical protein 0.033 0.0878 0.2438
Trypanosoma brucei carbonic anhydrase-like protein 0.0677 0.2257 1
Mycobacterium tuberculosis Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase) 0.1398 0.5116 0.946
Loa Loa (eye worm) hypothetical protein 0.0383 0.1088 0.3021
Schistosoma mansoni hypothetical protein 0.0383 0.1088 0.1088
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0677 0.2257 0.2257
Mycobacterium tuberculosis Beta-carbonic anhydrase CanB 0.1465 0.538 1
Mycobacterium ulcerans carbonic anhydrase 0.263 1 1
Schistosoma mansoni carbonic anhydrase 0.263 1 1
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0677 0.2257 1
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0245 0.0542 0.0542
Leishmania major carbonic anhydrase family protein, putative 0.263 1 1
Mycobacterium tuberculosis Beta-carbonic anhydrase 0.0963 0.3389 0.5922
Loa Loa (eye worm) hypothetical protein 0.0259 0.06 0.1665
Loa Loa (eye worm) hypothetical protein 0.1016 0.3601 1
Echinococcus granulosus carbonic anhydrase 0.0383 0.1088 0.482
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0383 0.1088 0.482
Echinococcus multilocularis carbonic anhydrase 0.0383 0.1088 0.482
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0383 0.1088 0.482
Echinococcus multilocularis carbonic anhydrase 0.0383 0.1088 0.482
Loa Loa (eye worm) carbonic anhydrase 3 0.0677 0.2257 0.6267
Trichomonas vaginalis conserved hypothetical protein 0.2128 0.8009 1
Echinococcus granulosus aminopeptidase N 0.0368 0.1029 0.4559
Loa Loa (eye worm) hypothetical protein 0.0383 0.1088 0.3021
Onchocerca volvulus 0.0202 0.0372 0.3619
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.0677 0.2257 0.2257
Trichomonas vaginalis conserved hypothetical protein 0.2128 0.8009 1
Schistosoma mansoni carbonic anhydrase-related 0.0383 0.1088 0.1088
Trypanosoma cruzi carbonic anhydrase-like protein, putative 0.0677 0.2257 1
Echinococcus multilocularis carbonic anhydrase 0.0383 0.1088 0.482
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1347 0.4911 0.4911
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0383 0.1088 0.3021
Echinococcus granulosus carbonic anhydrase II 0.0677 0.2257 1
Leishmania major carbonic anhydrase-like protein 0.0677 0.2257 0.2257
Echinococcus granulosus carbonic anhydrase 0.0383 0.1088 0.482
Brugia malayi Putative carbonic anhydrase 5 precursor 0.0677 0.2257 1
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0111 0.001 0.001
Schistosoma mansoni carbonic anhydrase-related 0.0383 0.1088 0.1088
Loa Loa (eye worm) peptidase family M1 containing protein 0.0297 0.0751 0.2084
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0677 0.2257 1
Mycobacterium leprae CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE) 0.263 1 1
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0383 0.1088 0.482
Plasmodium falciparum carbonic anhydrase 0.0383 0.1088 0.5
Loa Loa (eye worm) eukaryotic-type carbonic anhydrase 0.0677 0.2257 0.6267
Echinococcus multilocularis aminopeptidase N 0.0368 0.1029 0.4559
Brugia malayi Peptidase family M1 containing protein 0.0368 0.1029 0.4559
Onchocerca volvulus Putative sulfate transporter 0.0202 0.0372 0.3619
Echinococcus granulosus carbonic anhydrase 0.0383 0.1088 0.482
Schistosoma mansoni carbonic anhydrase-related 0.0383 0.1088 0.1088
Onchocerca volvulus 0.0368 0.1029 1
Mycobacterium ulcerans carbonic anhydrase 0.2128 0.8009 0.8009
Toxoplasma gondii hypothetical protein 0.0383 0.1088 0.5
Brugia malayi Carbonic anhydrase like protein 2 precursor 0.0383 0.1088 0.482
Echinococcus multilocularis carbonic anhydrase II 0.0677 0.2257 1
Brugia malayi Eukaryotic-type carbonic anhydrase family protein 0.0383 0.1088 0.482

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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