Detailed information for compound 1723911

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 297.352 | Formula: C17H19N3O2
  • H donors: 0 H acceptors: 3 LogP: 3.62 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCn1nnc(c1)c1cc2ccccc2oc1=O
  • InChi: 1S/C17H19N3O2/c1-2-3-4-7-10-20-12-15(18-19-20)14-11-13-8-5-6-9-16(13)22-17(14)21/h5-6,8-9,11-12H,2-4,7,10H2,1H3
  • InChiKey: QFVOWJBQZGFFQW-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 BACTERIOFERRITIN BFRA 0.0009 0.0028 0.5
Wolbachia endosymbiont of Brugia malayi bacterioferritin/cytochrome b1 0.0009 0.0028 0.5
Schistosoma mansoni apoferritin-2 0.0009 0.0028 0.0028
Schistosoma mansoni ferritin 0.0009 0.0028 0.0028
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0009 0.0028 0.5
Mycobacterium ulcerans bacterioferritin BfrB 0.0009 0.0028 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0134 0.9185 0.9185
Schistosoma mansoni apoferritin-2 0.0009 0.0028 0.0028
Schistosoma mansoni ferritin 0.0009 0.0028 0.0028
Loa Loa (eye worm) MH2 domain-containing protein 0.0134 0.9185 0.9185
Schistosoma mansoni ferritin 0.0009 0.0028 0.0028
Echinococcus multilocularis ferritin 0.0009 0.0028 0.0028
Schistosoma mansoni ferritin light chain 0.0009 0.0028 0.0028
Trichomonas vaginalis ferritin, putative 0.0009 0.0028 0.5
Echinococcus granulosus ferritin 0.0009 0.0028 0.0028
Schistosoma mansoni ferritin 0.0009 0.0028 0.0028
Echinococcus multilocularis expressed protein 0.0009 0.0028 0.0028
Schistosoma mansoni ferritin light chain 0.0009 0.0028 0.0028
Mycobacterium ulcerans bacterioferritin BfrA 0.0009 0.0028 0.5
Treponema pallidum bacterioferrin (TpF1) 0.0009 0.0028 0.5
Echinococcus granulosus expressed protein 0.0009 0.0028 0.0028
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0009 0.0028 0.5
Brugia malayi MH2 domain containing protein 0.0134 0.9185 0.9185

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) Inhibition of eNOS in rat PMEC assessed as reduction in nitrite level at 100 uM after 48 hrs by Griess method ChEMBL. 23123728
Inhibition (binding) Inhibition of iNOS in LPS-stimulated Wistar rat neutrophils assessed as decrease in total NOS activity at 100 uM after 18 hrs by enzymatic assay ChEMBL. 23123728
Inhibition (binding) Inhibition of iNOS activity in LPS-stimulated Wistar rat neutrophils at 100 uM after 18 hrs by enzymatic assay ChEMBL. 23123728

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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