Detailed information for compound 654400

Basic information

Technical information
  • TDR Targets ID: 654400
  • Name: ST5064379
  • MW: 255.272 | Formula: C14H13N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.07 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1C=NNC(=O)c1ccccn1
  • InChi: 1S/C14H13N3O2/c1-19-13-8-3-2-6-11(13)10-16-17-14(18)12-7-4-5-9-15-12/h2-10H,1H3,(H,17,18)/b16-10-
  • InChiKey: GPGBAQMQSBWBJG-YBEGLDIGSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00227965

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 mercuric reductase, putative 0.0014 0.0488 0.5
Brugia malayi glutathione reductase 0.004 0.2664 0.2922
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.01 0.7779 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0014 0.0488 0.5
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.009 0.6931 0.8837
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0014 0.0488 0.0535
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.01 0.7779 1
Brugia malayi MH2 domain containing protein 0.0116 0.9118 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.3204 0.3204
Plasmodium falciparum glutathione reductase 0.004 0.2664 1
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.009 0.6931 0.8837
Plasmodium vivax thioredoxin reductase, putative 0.004 0.2664 1
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0014 0.0488 0.5
Mycobacterium tuberculosis Probable oxidoreductase 0.01 0.7779 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.3204 1
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0014 0.0488 0.5
Loa Loa (eye worm) thioredoxin reductase 0.004 0.2664 0.2922
Loa Loa (eye worm) glutathione reductase 0.004 0.2664 0.2922
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.2664 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.3204 0.3204
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0014 0.0488 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.3204 1
Trypanosoma brucei trypanothione reductase 0.004 0.2664 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.009 0.6931 0.8837
Treponema pallidum NADH oxidase 0.0014 0.0488 0.5
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.0488 0.5
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.2664 0.2985
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.001 0.0181 0.0199
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.3204 1
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.2709 0.8455
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.2709 0.8455
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.0488 0.1522
Leishmania major trypanothione reductase 0.004 0.2664 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.0488 0.1522
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.009 0.6931 0.8837
Plasmodium falciparum thioredoxin reductase 0.004 0.2664 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.3204 0.3513
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.01 0.7779 1
Toxoplasma gondii thioredoxin reductase 0.004 0.2664 1
Loa Loa (eye worm) transcription factor SMAD2 0.0116 0.9118 1
Mycobacterium tuberculosis Probable reductase 0.009 0.6931 0.8837
Brugia malayi Thioredoxin reductase 0.004 0.2664 0.2922
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.3204 0.3513
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.001 0.0181 0.0199
Loa Loa (eye worm) MH2 domain-containing protein 0.0116 0.9118 1
Trichomonas vaginalis glutathione reductase, putative 0.0014 0.0488 0.5
Plasmodium vivax glutathione reductase, putative 0.004 0.2664 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.3204 1
Mycobacterium tuberculosis Probable dehydrogenase 0.009 0.6931 0.8837
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0014 0.0488 0.0488
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.0488 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.3204 0.3204
Giardia lamblia NADH oxidase lateral transfer candidate 0.0014 0.0488 0.5

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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