Detailed information for compound 59243

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 340.373 | Formula: C19H20N2O4
  • H donors: 1 H acceptors: 3 LogP: 1.39 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCCNC(=O)C1=CC2=C(CO1)C(=O)c1c(C2=O)cccc1)C
  • InChi: 1S/C19H20N2O4/c1-21(2)9-5-8-20-19(24)16-10-14-15(11-25-16)18(23)13-7-4-3-6-12(13)17(14)22/h3-4,6-7,10H,5,8-9,11H2,1-2H3,(H,20,24)
  • InChiKey: OZYOMAMJTUTIHO-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
Schistosoma mansoni metabotropic glutamate receptor 0.0082 0.0515 0.0155
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0244 0.9217 0.5
Echinococcus granulosus metabotropic glutamate receptor 2 0.0082 0.0515 0.0823
Trypanosoma brucei Polypeptide deformylase 1 0.0093 0.1095 0.5
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0093 0.1095 0.5
Echinococcus multilocularis nmda type glutamate receptor 0.0179 0.5717 0.9138
Trypanosoma cruzi Peptide deformylase 2, putative 0.0093 0.1095 0.5
Loa Loa (eye worm) hypothetical protein 0.0114 0.2215 1
Plasmodium falciparum peptide deformylase 0.0244 0.9217 0.5
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0091 0.0996 0.0654
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0093 0.1095 0.5
Leishmania major polypeptide deformylase-like protein, putative 0.0093 0.1095 0.5
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0114 0.2215 0.354
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0102 0.1585 0.2533
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0102 0.1585 0.2533
Echinococcus granulosus glutamate NMDA receptor subunit 0.0189 0.6257 1
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0102 0.1585 0.2533
Echinococcus multilocularis glutamate receptor 2 0.0102 0.1585 0.2533
Echinococcus granulosus nmda type glutamate receptor 0.0186 0.6083 0.9723
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0102 0.1585 0.2533
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0102 0.1585 0.2533
Toxoplasma gondii hypothetical protein 0.0244 0.9217 0.5
Echinococcus granulosus glutamate receptor NMDA 0.0156 0.4498 0.719
Loa Loa (eye worm) glutamate receptor 0.0095 0.1216 0.4599
Plasmodium vivax peptide deformylase, putative 0.0244 0.9217 0.5
Echinococcus granulosus nmda type glutamate receptor 0.0179 0.5717 0.9138
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0102 0.1585 0.2533
Echinococcus multilocularis glutamate receptor NMDA 0.0156 0.4498 0.719
Echinococcus granulosus glutamate receptor 2 0.0102 0.1585 0.2533
Trypanosoma cruzi Peptide deformylase 2, putative 0.0093 0.1095 0.5
Schistosoma mansoni glutamate receptor NMDA 0.0189 0.6257 0.6114
Treponema pallidum polypeptide deformylase (def) 0.0244 0.9217 0.5
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0082 0.0515 0.0823
Trypanosoma brucei Peptide deformylase 2 0.0093 0.1095 0.5
Echinococcus multilocularis glutamate (NMDA) receptor subunit 0.0189 0.6257 1
Mycobacterium ulcerans peptide deformylase 0.0244 0.9217 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0244 0.9217 0.5
Echinococcus granulosus metabotropic glutamate receptor 5 0.0114 0.2215 0.354
Brugia malayi Metabotropic glutamate receptor precursor. 0.0095 0.1216 1
Chlamydia trachomatis peptide deformylase 0.0244 0.9217 0.5
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0102 0.1585 0.2533
Echinococcus multilocularis nmda type glutamate receptor 0.0186 0.6083 0.9723
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0102 0.1585 0.2533
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0244 0.9217 1
Echinococcus multilocularis glutamate receptor 2 0.008 0.0366 0.0585

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) NA 0 uM Compound was tested for its antitumor activity against HT-29 colon carcinoma cell line; No activity. ChEMBL. 9873394
IC50 (functional) = 0.22 uM Compound was tested for its antitumor activity against SKOV3 human ovarian cancer cell line ChEMBL. 9873394
IC50 (functional) = 0.22 uM Compound was tested for its antitumor activity against SKOV3 human ovarian cancer cell line ChEMBL. 9873394
Ratio (functional) = 5.4 Selectivity ratio was determined for P-170 glycoprotein mediated multidrug resistant variant SKVLB to the ovarian cancer cell line SK-OV3. ChEMBL. 9873394

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 9873394

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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