Detailed information for compound 590005

Basic information

Technical information
  • TDR Targets ID: 590005
  • Name: 2-[(3-chlorophenyl)methylene]propanedinitrile
  • MW: 188.613 | Formula: C10H5ClN2
  • H donors: 0 H acceptors: 2 LogP: 2.62 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=Cc1cccc(c1)Cl)C#N
  • InChi: 1S/C10H5ClN2/c11-10-3-1-2-8(5-10)4-9(6-12)7-13/h1-5H
  • InChiKey: CGLGAIINXSHQBP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(3-chlorophenyl)methylidene]propanedinitrile
  • 2-(3-chlorobenzylidene)malononitrile
  • 2972-73-8
  • Benzene, 1-chloro-3-(2,2-dicyanoethenyl)
  • ((3-Chlorophenyl)methylene)propanedinitrile
  • NSC 98315
  • Propanedinitrile, ((3-chlorophenyl)methylene)-
  • NSC98315
  • AIDS-136207
  • AIDS136207
  • NSC637333
  • NCIOpen2_001860
  • ZINC00097955

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 granulosus Basic leucine zipper bZIP transcription 0.0036 0.2564 0.7584
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0177 0.0524
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0177 0.0524
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0177 0.0177
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.375 0.375
Brugia malayi hypothetical protein 0.0036 0.2564 0.2564
Schistosoma mansoni hypothetical protein 0.0015 0.0687 0.2031
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0687 0.2031
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0177 0.0177
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0177 0.0524
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0177 0.0524
Brugia malayi nuclear hormone receptor 0.001 0.0177 0.0177
Entamoeba histolytica hypothetical protein 0.0036 0.2564 0.5
Schistosoma mansoni hypothetical protein 0.0015 0.0687 0.2031
Loa Loa (eye worm) hypothetical protein 0.0015 0.0687 0.0687
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0177 0.0524
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0177 0.0524
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0177 0.0177
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0177 0.0524
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.338 1
Schistosoma mansoni hypothetical protein 0.0036 0.2564 0.7584
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0177 0.0177
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.338 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0177 0.0524
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0177 0.0177
Schistosoma mansoni coup transcription factor 0.001 0.0177 0.0524
Loa Loa (eye worm) hypothetical protein 0.0049 0.375 0.375
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0687 0.2031
Brugia malayi ecdysteroid receptor 0.001 0.0177 0.0177
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0177 0.0524
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.375 0.375
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0177 0.0524
Schistosoma mansoni thyroid hormone receptor 0.001 0.0177 0.0524
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.2332 0.2332
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.375 0.375
Schistosoma mansoni hypothetical protein 0.0015 0.0687 0.2031
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0177 0.0177
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.338 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.338 0.338
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0177 0.0524
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.2564 0.7584
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0687 0.0687
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0177 0.0524
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0177 0.0177
Schistosoma mansoni nuclear hormone receptor 0.001 0.0177 0.0524
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0177 0.0524
Brugia malayi nuclear receptor NHR-88 0.001 0.0177 0.0177
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0177 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0177 0.0524
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0177 0.0177
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0177 0.0177
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0177 0.0524
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.2564 0.7584
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0177 0.0177
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0177 0.0177
Schistosoma mansoni hypothetical protein 0.0015 0.0687 0.2031
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0177 0.0177
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0177 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0177 0.0177
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0177 0.5
Echinococcus granulosus GPCR family 2 0.0015 0.0687 0.2031
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0177 0.0524
Brugia malayi steroid hormone receptor 0.001 0.0177 0.0177
Onchocerca volvulus 0.001 0.0177 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0177 0.0524
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.338 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0177 0.0524
Entamoeba histolytica hypothetical protein 0.0036 0.2564 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0177 0.0524
Loa Loa (eye worm) hypothetical protein 0.0033 0.2332 0.2332
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.338 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0177 0.0177
Entamoeba histolytica hypothetical protein 0.0036 0.2564 0.5
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0687 0.2031
Loa Loa (eye worm) transcription factor SMAD2 0.0117 1 1
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0687 0.0687
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0177 0.0524
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0177 0.0524
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.338 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0177 0.0524
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0177 0.0524
Schistosoma mansoni hypothetical protein 0.0033 0.2332 0.6899
Entamoeba histolytica hypothetical protein 0.0036 0.2564 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0117 1 1
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0177 0.0524
Echinococcus multilocularis GPCR, family 2 0.0015 0.0687 0.2031
Schistosoma mansoni thyroid hormone receptor 0.001 0.0177 0.0524
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0177 0.0524
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0687 0.0687
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0687 0.2031
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.338 0.338
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0177 0.0177
Echinococcus granulosus FTZ F1 alpha 0.001 0.0177 0.0524
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0177 0.0177
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.338 1
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0177 0.0524
Loa Loa (eye worm) hypothetical protein 0.001 0.0177 0.0177
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0177 0.5

Activities

No activities found for this compound.

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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