Detailed information for compound 233058

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 214.649 | Formula: C9H11ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 0.48 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cn(C/C=C\CCl)c(=O)[nH]c1=O
  • InChi: 1S/C9H11ClN2O2/c1-7-6-12(5-3-2-4-10)9(14)11-8(7)13/h2-3,6H,4-5H2,1H3,(H,11,13,14)/b3-2-
  • InChiKey: CEBYMFIVKOALBR-IHWYPQMZSA-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
Brugia malayi Animal haem peroxidase family protein 0.0233 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.0233 0.5 0.5
Onchocerca volvulus Dual oxidase homolog 0.0233 0.5 0.5
Brugia malayi Peroxidasin 0.0233 0.5 0.5
Schistosoma mansoni peroxidasin 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Loa Loa (eye worm) blistered cuticle protein 3 0.0233 0.5 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0233 0.5 0.5
Onchocerca volvulus Peroxidase homolog 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Echinococcus multilocularis peroxidasin 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Echinococcus granulosus peroxidasin 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Onchocerca volvulus Peroxidasin homolog 0.0233 0.5 0.5
Onchocerca volvulus 0.0233 0.5 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0233 0.5 0.5
Onchocerca volvulus Peroxidasin homolog 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Onchocerca volvulus 0.0233 0.5 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0233 0.5 0.5
Onchocerca volvulus Peroxidase homolog 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.0233 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.0233 0.5 0.5
Schistosoma mansoni peroxidasin 0.0233 0.5 0.5
Brugia malayi Blistered cuticle protein 3 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Onchocerca volvulus 0.0233 0.5 0.5
Onchocerca volvulus Chorion peroxidase homolog 0.0233 0.5 0.5
Brugia malayi Animal haem peroxidase family protein 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Loa Loa (eye worm) animal heme peroxidase 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.5 0.5

Activities

Activity type Activity value Assay description Source Reference
Cytotoxicity (functional) = 550 Cytotoxicity of the compound was evaluated against PO1 human solid tumor at 500 microg/disk. ChEMBL. 1992143
Cytotoxicity (functional) = 320 Cytotoxicity of the compound was evaluated against CO9 solid tumor of mouse at 500 microg/disk. ChEMBL. 1992143
Cytotoxicity (functional) = 400 Cytotoxicity of the compound was evaluated against low malignancy line at 500 microg/disk. ChEMBL. 1992143
Cytotoxicity (functional) = 550 Cytotoxicity of the compound was evaluated against PO1 human solid tumor at 500 microg/disk. ChEMBL. 1992143
Cytotoxicity (functional) = 610 Cytotoxicity of the compound was evaluated against L1210 leukemia cell line at 500 microg/disk. ChEMBL. 1992143
IC50 (functional) = 46 uM Inhibitory activity against murine leukemia L1210 cells ChEMBL. 1992143
IC50 (functional) = 46 uM Inhibitory activity against murine leukemia L1210 cells ChEMBL. 1992143

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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