Detailed information for compound 1834285

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 412.484 | Formula: C18H32N6O5
  • H donors: 4 H acceptors: 5 LogP: -3.25 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCCn1nnc(c1)CO[C@H]1[C@H](O)[C@@H](N)C[C@H]([C@@H]1OCC(=O)N1CCCCC1)N
  • InChi: 1S/C18H32N6O5/c19-13-8-14(20)17(29-11-15(26)23-4-2-1-3-5-23)18(16(13)27)28-10-12-9-24(6-7-25)22-21-12/h9,13-14,16-18,25,27H,1-8,10-11,19-20H2/t13-,14+,16+,17-,18-/m0/s1
  • InChiKey: KRPZYOWDAYZQJH-QYKUSJBESA-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
Schistosoma mansoni hypothetical protein 0.0043 0.0231 0.0231
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0106 0.2719 0.2719
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.2523 0.2704
Echinococcus granulosus expressed conserved protein 0.0098 0.2405 0.2578
Echinococcus granulosus Niemann Pick C1 protein 0.0105 0.2655 0.2846
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0221 0.0237
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0295 0.0295
Schistosoma mansoni hypothetical protein 0.0043 0.0231 0.0231
Brugia malayi MH2 domain containing protein 0.0127 0.3524 0.3524
Echinococcus multilocularis Niemann Pick C1 protein 0.0105 0.2655 0.2846
Schistosoma mansoni patched 1 0.0045 0.0295 0.0295
Brugia malayi CHE-14 protein 0.0045 0.0295 0.0295
Loa Loa (eye worm) hypothetical protein 0.0274 0.9329 0.9329
Onchocerca volvulus 0.0056 0.0726 0.5
Echinococcus multilocularis protein patched 0.0045 0.0295 0.0317
Echinococcus granulosus Niemann Pick C1 protein 0.015 0.4429 0.4748
Brugia malayi jmjC domain containing protein 0.0101 0.2523 0.2523
Echinococcus multilocularis survival motor neuron protein 1 0.0274 0.9329 1
Brugia malayi hypothetical protein 0.0274 0.9329 0.9329
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.3524 0.3524
Schistosoma mansoni jumonji domain containing protein 0.0081 0.17 0.17
Loa Loa (eye worm) hypothetical protein 0.0105 0.2655 0.2655
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0056 0.0726 0.0726
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0295 0.0317
Loa Loa (eye worm) hypothetical protein 0.0055 0.0695 0.0695
Echinococcus granulosus survival motor neuron protein 1 0.0274 0.9329 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.0295 0.0295
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.3524 0.3524
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0221 0.0237
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0295 0.0317
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.1044 0.1044
Brugia malayi Niemann-Pick C1 protein precursor 0.0105 0.2655 0.2655
Schistosoma mansoni survival motor neuron protein 0.0056 0.0726 0.0726
Schistosoma mansoni hypothetical protein 0.0043 0.0231 0.0231
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0105 0.2655 0.5
Echinococcus multilocularis protein dispatched 1 0.0051 0.0546 0.0585
Schistosoma mansoni hypothetical protein 0.0056 0.0726 0.0726
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0295 0.0317
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.2523 0.2704
Echinococcus multilocularis Niemann Pick C1 protein 0.015 0.4429 0.4748
Echinococcus multilocularis expressed conserved protein 0.0098 0.2405 0.2578
Schistosoma mansoni hypothetical protein 0.0043 0.0231 0.0231
Loa Loa (eye worm) hypothetical protein 0.0053 0.0616 0.0616

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) > 1000 ug ml-1 Antimicrobial activity against Escherichia coli ATCC 25922 after 18 hrs by microdilution method ChEMBL. 24440302

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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