Detailed information for compound 1496330

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 430.67 | Formula: C17H14Cl3N3O4
  • H donors: 1 H acceptors: 4 LogP: 3.69 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccccc1Cl)CN(C(=O)COC(=O)c1nc(Cl)ccc1Cl)C
  • InChi: 1S/C17H14Cl3N3O4/c1-23(8-14(24)21-12-5-3-2-4-10(12)18)15(25)9-27-17(26)16-11(19)6-7-13(20)22-16/h2-7H,8-9H2,1H3,(H,21,24)
  • InChiKey: GOTWLKMXMWWBNB-UHFFFAOYSA-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
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0183 0.0289
Loa Loa (eye worm) glutaminase 0.0266 1 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.1315 0.1315
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0183 0.0183
Loa Loa (eye worm) hypothetical protein 0.024 0.8876 0.8876
Mycobacterium ulcerans glutaminase 0.0266 1 0.5
Brugia malayi TAR-binding protein 0.0062 0.1315 0.1315
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0097 0.2818 0.2818
Schistosoma mansoni hypothetical protein 0.0066 0.1514 0.1514
Entamoeba histolytica hypothetical protein 0.0035 0.0183 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.1315 0.2074
Entamoeba histolytica hypothetical protein 0.0035 0.0183 0.5
Schistosoma mansoni glutaminase 0.0266 1 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1315 0.1315
Entamoeba histolytica hypothetical protein 0.0035 0.0183 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0097 0.2818 0.2818
Brugia malayi hypothetical protein 0.0035 0.0183 0.0183
Loa Loa (eye worm) TAR-binding protein 0.0062 0.1315 0.1315
Brugia malayi RNA binding protein 0.0062 0.1315 0.1315
Loa Loa (eye worm) RNA binding protein 0.0062 0.1315 0.1315
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1315 0.1315
Schistosoma mansoni hypothetical protein 0.0035 0.0183 0.0183
Brugia malayi photoreceptor-specific nuclear receptor 0.024 0.8876 0.8876
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0183 0.0289
Brugia malayi latrophilin 2 splice variant baaae 0.0066 0.1514 0.1514
Loa Loa (eye worm) hypothetical protein 0.0066 0.1514 0.1514
Trichomonas vaginalis glutaminase, putative 0.0266 1 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.018 0.6342 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0246 0.916 0.916
Loa Loa (eye worm) glutaminase 2 0.0266 1 1
Entamoeba histolytica hypothetical protein 0.0035 0.0183 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.1315 0.1315
Echinococcus multilocularis tar DNA binding protein 0.0062 0.1315 0.2074
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1315 0.1315
Loa Loa (eye worm) hypothetical protein 0.0246 0.916 0.916
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1315 0.1315
Schistosoma mansoni tar DNA-binding protein 0.0062 0.1315 0.1315
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.018 0.6342 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 29.0929 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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