Detailed information for compound 1804403

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 410.508 | Formula: C20H34N4O5
  • H donors: 2 H acceptors: 5 LogP: 2.89 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC[C@@H](C(=O)N[C@H](c1occ(n1)C(=O)N(CC)CC)C(C)C)CN(C=O)O
  • InChi: 1S/C20H34N4O5/c1-6-9-10-15(11-24(28)13-25)18(26)22-17(14(4)5)19-21-16(12-29-19)20(27)23(7-2)8-3/h12-15,17,28H,6-11H2,1-5H3,(H,22,26)/t15-,17+/m1/s1
  • InChiKey: NSYOAAPDCOAOJB-WBVHZDCISA-N  


Substructure search Similarity search

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
Plasmodium falciparum conserved protein, unknown function 0.0237 0.6297 1
Loa Loa (eye worm) haspin protein kinase 0.0337 0.9886 0.9886
Onchocerca volvulus Putative endochitinase 0.0167 0.3797 0.2052
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0237 0.6297 0.6369
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0264 0.7243 1
Schistosoma mansoni serine/threonine protein kinase 0.0264 0.7243 0.7326
Entamoeba histolytica protein kinase, putative 0.0264 0.7243 1
Entamoeba histolytica protein kinase, putative 0.0178 0.4162 0.5746
Brugia malayi endochitinase 0.0149 0.3151 0.3187
Plasmodium vivax hypothetical protein, conserved 0.0237 0.6297 1
Leishmania major chitinase 0.0149 0.3151 0.435
Trichomonas vaginalis CMGC family protein kinase 0.0264 0.7243 1
Brugia malayi Protein kinase domain containing protein 0.0178 0.4162 0.421
Loa Loa (eye worm) microfilarial chitinase 0.0145 0.3008 0.3008
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0264 0.7243 1
Echinococcus granulosus dual specificity 0.0264 0.7243 0.7326
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0178 0.4162 0.5746
Echinococcus granulosus dual specificity 0.0264 0.7243 0.7326
Loa Loa (eye worm) cuticular endochitinase 0.0149 0.3151 0.3151
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0237 0.6297 0.6369
Loa Loa (eye worm) hypothetical protein 0.0174 0.4047 0.4047
Onchocerca volvulus Putative endochitinase 0.0167 0.3797 0.2052
Loa Loa (eye worm) chitinase I 0.0149 0.3151 0.3151
Loa Loa (eye worm) haspin protein kinase 0.0337 0.9886 0.9886
Entamoeba histolytica protein kinase domain containing protein 0.0264 0.7243 1
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0237 0.6297 0.6369
Onchocerca volvulus Putative endochitinase 0.0167 0.3797 0.2052
Loa Loa (eye worm) hypothetical protein 0.0127 0.2362 0.2362
Echinococcus multilocularis dual specificity 0.0264 0.7243 0.7326
Echinococcus multilocularis dual specificity 0.0264 0.7243 0.7326
Trichomonas vaginalis CMGC family protein kinase 0.0264 0.7243 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0178 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.0174 0.4047 0.4047
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0264 0.7243 1
Giardia lamblia Kinase, CMGC DYRK 0.0264 0.7243 1
Brugia malayi Endochitinase 0.0167 0.3797 0.384
Mycobacterium tuberculosis Possible chitinase 0.0127 0.2362 0.5
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0178 0.4162 0.5746
Loa Loa (eye worm) hypothetical protein 0.0237 0.6297 0.6297
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0264 0.7243 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.0337 0.9886 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0178 0.4162 0.5746
Brugia malayi hypothetical protein 0.0337 0.9886 1
Loa Loa (eye worm) hypothetical protein 0.0237 0.6297 0.6297
Onchocerca volvulus 0.0237 0.6297 1
Entamoeba histolytica chitinase, putative 0.0149 0.3151 0.435
Echinococcus granulosus dual specificity 0.0264 0.7243 0.7326
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0337 0.9886 1
Echinococcus granulosus dual specificity 0.0178 0.4162 0.421
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0264 0.7243 0.7326
Trichomonas vaginalis CMGC family protein kinase 0.0264 0.7243 1
Brugia malayi endochitinase 0.0167 0.3797 0.384
Echinococcus granulosus serine:threonine protein kinase haspin 0.0337 0.9886 1
Schistosoma mansoni hypothetical protein 0.0337 0.9886 1
Echinococcus multilocularis dual specificity 0.0178 0.4162 0.421
Brugia malayi GSG2 0.0337 0.9886 1
Mycobacterium ulcerans chitinase/cellulase 0.0127 0.2362 0.5
Onchocerca volvulus 0.0237 0.6297 1
Schistosoma mansoni serine/threonine protein kinase 0.0178 0.4162 0.421
Entamoeba histolytica hypothetical protein 0.0178 0.4162 0.5746
Mycobacterium ulcerans chitinase/cellulase 0.0127 0.2362 0.5
Echinococcus granulosus serine:threonine protein kinase haspin 0.0337 0.9886 1
Echinococcus multilocularis dual specificity 0.0264 0.7243 0.7326
Entamoeba histolytica protein kinase, putative 0.0178 0.4162 0.5746
Trichomonas vaginalis CMGC family protein kinase 0.0264 0.7243 1
Entamoeba histolytica protein kinase domain containing protein 0.0178 0.4162 0.5746
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0264 0.7243 0.7243
Echinococcus multilocularis serine:threonine protein kinase haspin 0.0337 0.9886 1
Trichomonas vaginalis CMGC family protein kinase 0.0264 0.7243 1
Schistosoma mansoni hypothetical protein 0.0237 0.6297 0.6369
Trichomonas vaginalis CMGC family protein kinase 0.0264 0.7243 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0178 0.4162 0.5746

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 12.5 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 after 24 hr by broth microdilution method ChEMBL. No reference

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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