Detailed information for compound 339502

Basic information

Technical information
  • TDR Targets ID: 339502
  • Name: (2,6-diaminopyridin-3-yl)-phenylmethanone
  • MW: 213.235 | Formula: C12H11N3O
  • H donors: 2 H acceptors: 2 LogP: 2.05 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc(c(n1)N)C(=O)c1ccccc1
  • InChi: 1S/C12H11N3O/c13-10-7-6-9(12(14)15-10)11(16)8-4-2-1-3-5-8/h1-7H,(H4,13,14,15)
  • InChiKey: CUQWNLDNYKQYLY-UHFFFAOYSA-N  

Network

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Synonyms

  • (2,6-diamino-3-pyridyl)-phenyl-methanone
  • (2,6-diamino-3-pyridyl)-phenylmethanone
  • [2,6-bis(azanyl)pyridin-3-yl]-phenyl-methanone
  • (2,6-diaminopyridin-3-yl)-phenyl-methanone
  • 3-Acyl-2,6-diaminopyridine deriv. 3c

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 aldo-keto reductase, putative 0.0336 1 1
Onchocerca volvulus 0.0336 1 1
Loa Loa (eye worm) hypothetical protein 0.0336 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.0097 0.2578 0.2578
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0336 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0336 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0336 1 1
Echinococcus multilocularis aldo keto reductase 0.0336 1 1
Mycobacterium leprae Conserved hypothetical protein 0.0239 0.6974 0.5922
Giardia lamblia Aldose reductase 0.0336 1 0.5
Plasmodium falciparum aldehyde reductase, putative 0.0097 0.2578 0.5
Echinococcus multilocularis aldo keto reductase 0.0336 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0336 1 1
Echinococcus granulosus aldo keto reductase 0.0336 1 1
Toxoplasma gondii aldose reductase, putative 0.0336 1 1
Entamoeba histolytica aldose reductase, putative 0.0336 1 1
Leishmania major aldo-keto reductase-like protein 0.0336 1 1
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0336 1 1
Loa Loa (eye worm) oxidoreductase 0.0336 1 1
Echinococcus multilocularis voltage gated potassium channel subunit 0.0097 0.2578 0.2578
Onchocerca volvulus 0.0336 1 1
Trypanosoma brucei prostaglandin f synthase 0.0336 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.0097 0.2578 0.5
Trichomonas vaginalis aldo-keto reductase, putative 0.0336 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0336 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0336 1 1
Onchocerca volvulus 0.0336 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0336 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0336 1 1
Trypanosoma brucei aldo-keto reductase, putative 0.0336 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0336 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0336 1 1
Echinococcus granulosus aldo keto reductase family 1, member B4 0.0097 0.2578 0.2578
Brugia malayi NADH-dependent xylose reductase 0.0097 0.2578 0.2578
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0336 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0336 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0336 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0336 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0336 1 1
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.0097 0.2578 0.2578
Schistosoma mansoni pol-related 0.0336 1 1
Entamoeba histolytica aldose reductase, putative 0.0336 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.0097 0.2578 0.2578
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0336 1 1
Schistosoma mansoni aldo-keto reductase 0.0336 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0336 1 1
Trypanosoma cruzi aldo/keto reductase, putative 0.0336 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0336 1 1
Giardia lamblia Aldose reductase 0.0336 1 0.5
Loa Loa (eye worm) oxidoreductase 0.0336 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0336 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0336 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0336 1 1
Loa Loa (eye worm) oxidoreductase 0.0336 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0336 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0336 1 1
Schistosoma mansoni potassium channel beta 0.0097 0.2578 0.2578
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0336 1 1
Onchocerca volvulus 0.0336 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0336 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0336 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0336 1 1
Plasmodium vivax aldehyde reductase, putative 0.0097 0.2578 0.5
Echinococcus granulosus hypothetical protein 0.0336 1 1
Schistosoma mansoni aldo-keto reductase 0.0336 1 1
Onchocerca volvulus 0.0336 1 1
Trypanosoma cruzi aldo-keto reductase 0.0336 1 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0336 1 1
Echinococcus granulosus aldehyde reductase 0.0239 0.6974 0.6974
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0336 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0336 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0336 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0336 1 1
Mycobacterium ulcerans oxidoreductase 0.0336 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0336 1 1
Echinococcus multilocularis aldo keto reductase 0.0336 1 1
Onchocerca volvulus 0.0336 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.0336 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0336 1 1
Echinococcus multilocularis aldo keto reductase 0.0336 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0336 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.0336 1 1
Loa Loa (eye worm) oxidoreductase 0.0336 1 1
Entamoeba histolytica aldose reductase, putative 0.0336 1 1
Echinococcus granulosus aldo keto reductase 0.0336 1 1
Leishmania major prostaglandin f synthase, putative 0.0336 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0336 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0336 1 1
Echinococcus granulosus aldo keto reductase 0.0336 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.0097 0.2578 0.5
Trichomonas vaginalis aldo/keto reductase, putative 0.0336 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0336 1 1
Echinococcus multilocularis aldehyde reductase 0.0239 0.6974 0.6974
Loa Loa (eye worm) oxidoreductase 0.0336 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0336 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1.1 uM In vitro inhibitory concentration against cyclin-dependent kinase 1 ChEMBL. 15837297

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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