Detailed information for compound 227685

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 270.29 | Formula: C13H14N6O
  • H donors: 3 H acceptors: 3 LogP: 0.62 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(N)c2c(n1)NCCN2C(=O)c1ccccc1
  • InChi: 1S/C13H14N6O/c14-10-9-11(18-13(15)17-10)16-6-7-19(9)12(20)8-4-2-1-3-5-8/h1-5H,6-7H2,(H5,14,15,16,17,18)
  • InChiKey: JFJFUWJKPBIBHG-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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 leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0114 0 0.5
Echinococcus granulosus fatty acid amide hydrolase 1 0.0948 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0589 0.5694 1
Loa Loa (eye worm) hypothetical protein 0.0948 1 1
Trypanosoma brucei lipase domain protein, putative 0.0589 0.5694 1
Schistosoma mansoni amidase 0.0948 1 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0948 1 1
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0114 0 0.5
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0114 0 0.5
Onchocerca volvulus 0.0589 0.5694 0.5
Trichomonas vaginalis lipase containing protein, putative 0.0589 0.5694 0.5
Leishmania major hypothetical protein, conserved 0.0589 0.5694 1
Echinococcus multilocularis sn1 specific diacylglycerol lipase beta 0.0589 0.5694 0.5694
Trichomonas vaginalis lipase containing protein, putative 0.0589 0.5694 0.5
Brugia malayi Lipase family protein 0.0589 0.5694 0.5694
Trypanosoma cruzi hypothetical protein, conserved 0.0589 0.5694 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0948 1 1
Schistosoma mansoni fatty-acid amide hydrolase 0.0948 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0163 0.0584 1
Echinococcus granulosus sn1 specific diacylglycerol lipase beta 0.0589 0.5694 0.5694
Trypanosoma brucei lipase domain protein, putative 0.0589 0.5694 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0163 0.0584 1
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0114 0 0.5
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0114 0 0.5
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0948 1 1
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0114 0 0.5
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0114 0 0.5
Loa Loa (eye worm) lipase 0.0589 0.5694 0.5694

Activities

Activity type Activity value Assay description Source Reference
Vmax (binding) = 59 % Inhibitory activity of 100 uM of the compound against H4Bip (2 uM) stimulated nitric oxide synthase (NOS-I) total activity (derived from porcine brain cerebellum) ChEMBL. 10514281
Vmax (binding) = 59 % Inhibitory activity of 100 uM of the compound against H4Bip (2 uM) stimulated nitric oxide synthase (NOS-I) total activity (derived from porcine brain cerebellum) ChEMBL. 10514281

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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