Detailed information for compound 290280

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 369.411 | Formula: C21H23NO5
  • H donors: 3 H acceptors: 4 LogP: 4.93 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(c(c1)/C=N/c1ccc(c(c1)C(=O)OCC1CCCCC1)O)O
  • InChi: 1S/C21H23NO5/c23-17-7-9-19(24)15(10-17)12-22-16-6-8-20(25)18(11-16)21(26)27-13-14-4-2-1-3-5-14/h6-12,14,23-25H,1-5,13H2/b22-12+
  • InChiKey: LZQQAJBQUGJYNI-WSDLNYQXSA-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
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1886 0.0198 1
Loa Loa (eye worm) hypothetical protein 0.1886 0.0198 1
Leishmania major carbonic anhydrase-like protein 0.166 0.0147 0.2191
Brugia malayi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1886 0.0198 1
Toxoplasma gondii glycosyl transferase, group 4 family protein 0.1886 0.0198 0.5
Trypanosoma cruzi UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1886 0.0198 1
Giardia lamblia UDP-N-acetylglucosamine-dolichyl-phosphateN-acetylglucosaminephosphotransferase 0.1886 0.0198 0.5
Mycobacterium ulcerans phospho-N-acetylmuramoyl-pentapeptide-transferase 4.4924 1 1
Mycobacterium ulcerans undecapaprenyl-phosphate alpha-N-acetylglucosaminyltransferase Rfe 0.1886 0.0198 0.0081
Mycobacterium ulcerans carbonic anhydrase 0.1596 0.0132 0.0014
Entamoeba histolytica UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1886 0.0198 1
Chlamydia trachomatis phospho-N-acetylmuramoyl-pentapeptide-transferase 1.7076 0.3658 0.5
Treponema pallidum phospho-N-acetylmuramoyl-pentapeptide-transferase (mraY) 1.7076 0.3658 0.5
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.166 0.0147 0.2191
Plasmodium falciparum UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1886 0.0198 0.5
Mycobacterium tuberculosis Probable phospho-N-acetylmuramoyl-pentappeptidetransferase MurX 4.4924 1 1
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1886 0.0198 1
Trypanosoma brucei UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1886 0.0198 1
Onchocerca volvulus 0.1886 0.0198 0.5
Echinococcus multilocularis UDP N acetylglucosamine dolichyl phosphate 0.1886 0.0198 1
Schistosoma mansoni carbonic anhydrase II (carbonate dehydratase II) 0.166 0.0147 0.2191
Schistosoma mansoni UDP-N-acetylglucosamine--dolichyl-phosphate N-acetylglucosaminephosphotransferase 0.1886 0.0198 1
Leishmania major UDP-N-acetylglucosamine-dolichyl-phosphate N-acetylglucosaminephosphotransferase, putative 0.1886 0.0198 1
Wolbachia endosymbiont of Brugia malayi phospho-N-acetylmuramoyl-pentapeptide-transferase 4.4924 1 0.5
Plasmodium vivax N-acetylglucosamine-1-phosphate transferase, putative 0.1886 0.0198 0.5
Echinococcus granulosus UDP N acetylglucosamine dolichyl phosphate 0.1886 0.0198 1
Trichomonas vaginalis glucosaminephosphotransferase, putative 0.1886 0.0198 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) uM Inhibition of EGF-Receptor in ER 22 cell membrane (Not tested) ChEMBL. 8145236
IC50 (functional) uM Inhibition of EGF-stimulated DNA synthesis in ER 22 (EGF-receptor expressing) cells (Not tested) ChEMBL. 8145236
IC50 (functional) 0 uM Inhibition of EGF-Receptor in ER 22 cell membrane (Not tested) ChEMBL. 8145236
IC50 (functional) 0 uM Inhibition of EGF-stimulated DNA synthesis in ER 22 (EGF-receptor expressing) cells (Not tested) ChEMBL. 8145236

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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