Detailed information for compound 588132

Basic information

Technical information
  • TDR Targets ID: 588132
  • Name: [3-[(Z)-2-chloro-2-cyano-vinyl]-1-methyl-2-ox o-indolin-3-yl] acetate
  • MW: 290.702 | Formula: C14H11ClN2O3
  • H donors: 0 H acceptors: 3 LogP: 1.82 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#CC(=CC1(OC(=O)C)c2ccccc2N(C1=O)C)Cl
  • InChi: 1S/C14H11ClN2O3/c1-9(18)20-14(7-10(15)8-16)11-5-3-4-6-12(11)17(2)13(14)19/h3-7H,1-2H3/b10-7-
  • InChiKey: NIZPENWRYKJPHW-YFHOEESVSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • acetic acid [3-[(Z)-2-chloro-2-cyanovinyl]-1-methyl-2-oxo-3-indolinyl] ester
  • [3-[(Z)-2-chloro-2-cyano-ethenyl]-1-methyl-2-oxo-indol-3-yl] ethanoate
  • acetic acid [3-[(Z)-2-chloro-2-cyano-vinyl]-2-keto-1-methyl-indolin-3-yl] ester
  • [3-[(Z)-2-chloro-2-cyanoethenyl]-1-methyl-2-oxoindol-3-yl] acetate
  • N-methylindisocin
  • 90632-48-7
  • 2-Propenenitrile, 3-(3-(acetyloxy)-2,3-dihydro-1-methyl-2-oxo-1H-indol-3-yl)-2-chloro-

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 ets-related 0.0011 0.0055 0.0111
Brugia malayi jmjC domain containing protein 0.0017 0.0118 0.0365
Schistosoma mansoni cpg binding protein 0.003 0.0261 0.0578
Echinococcus granulosus lysine specific demethylase 6a 0.0017 0.0118 0.0253
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0055 0.0111
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0125 0.1919
Schistosoma mansoni ap endonuclease 0.002 0.0156 0.0339
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0018 0.0125 0.1919
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0011 0.0055 0.0109
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0063 0.0638 0.1437
Echinococcus granulosus phd:f box containing protein 0.0017 0.0118 0.0253
Schistosoma mansoni ets-related 0.0237 0.2578 0.5857
Echinococcus multilocularis ets variant gene 4 0.0011 0.0055 0.0049
Schistosoma mansoni phosphatidylserine receptor 0.0017 0.0118 0.0253
Echinococcus granulosus ewsr:fli fusion protein type 0.0011 0.0055 0.0111
Echinococcus multilocularis lysine specific demethylase 6a 0.0017 0.0118 0.0111
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0078 0.0802 0.2864
Brugia malayi Ets-domain containing protein 0.0011 0.0055 0.012
Echinococcus multilocularis cpg binding protein 0.003 0.0261 0.0254
Echinococcus multilocularis GPCR, family 2 0.0017 0.0125 0.0118
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0125 0.0269
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0125 0.0028
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0125 0.1919
Schistosoma mansoni hypothetical protein 0.0017 0.0125 0.0269
Echinococcus multilocularis phd:f box containing protein 0.0017 0.0118 0.0111
Echinococcus multilocularis GA binding protein alpha chain 0.0078 0.0802 0.0795
Toxoplasma gondii exonuclease III APE 0.002 0.0156 0.0144
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0548 0.2049
Schistosoma mansoni protein phosphatase 2C 0.0017 0.0118 0.0253
Echinococcus granulosus GA binding protein alpha chain 0.0078 0.0802 0.181
Loa Loa (eye worm) hypothetical protein 0.0017 0.0118 0.0339
Schistosoma mansoni jumonji domain containing protein 0.0063 0.0638 0.1437
Echinococcus multilocularis ETS transcription factor Elf 5 0.0011 0.0055 0.0049
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0125 0.0392
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0125 0.0118
Schistosoma mansoni hypothetical protein 0.0011 0.0055 0.0111
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0156 1
Schistosoma mansoni jumonji domain containing protein 0.0017 0.0118 0.0253
Schistosoma mansoni hypothetical protein 0.0011 0.0055 0.0111
Echinococcus multilocularis isocitrate dehydrogenase 0.0018 0.0125 0.0118
Echinococcus granulosus protein C ets 2 0.0011 0.0055 0.0111
Echinococcus multilocularis protein C ets 2 0.0011 0.0055 0.0049
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0018 0.0125 0.0269
Echinococcus granulosus ETS transcription factor Elf 2 0.0011 0.0055 0.0111
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0118 0.0339
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0125 0.0392
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0352 0.1282
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0156 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0125 0.0269
Schistosoma mansoni elf1 0.0011 0.0055 0.0111
Brugia malayi Ets-domain containing protein 0.0078 0.0802 0.3042
Echinococcus granulosus GPCR family 2 0.0017 0.0125 0.0269
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0059 0.0594 0.1338
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0156 1
Brugia malayi DNA-binding protein D-ETS-3 0.0011 0.0055 0.012
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0018 0.0136 0.0129
Loa Loa (eye worm) ets-domain-containing protein 0.0011 0.0055 0.0109
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0548 0.2049
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0018 0.0125 0.0269
Schistosoma mansoni ets 0.0011 0.0055 0.0111
Schistosoma mansoni phd/f-box containing protein 0.0017 0.0118 0.0253
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0156 0.0339
Loa Loa (eye worm) isocitrate dehydrogenase 0.0018 0.0125 0.0366
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0156 0.5
Brugia malayi Ets-domain containing protein 0.0078 0.0802 0.3042
Brugia malayi jmjC domain containing protein 0.0017 0.0118 0.0365
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0118 0.0339
Loa Loa (eye worm) hypothetical protein 0.025 0.2734 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0156 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0055 0.0109
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0018 0.0125 0.1919
Brugia malayi jmjC domain containing protein 0.0017 0.0118 0.0365
Loa Loa (eye worm) hypothetical protein 0.0017 0.0125 0.0365
Loa Loa (eye worm) hypothetical protein 0.0011 0.0055 0.0109
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0125 0.0118
Echinococcus granulosus cpg binding protein 0.003 0.0261 0.0578
Echinococcus granulosus ETS transcription factor Elf 1 0.0011 0.0055 0.0111
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0156 0.0512
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0026 0.0044
Echinococcus multilocularis dnaJ subfamily B 0.0399 0.4397 0.4393
Schistosoma mansoni cpg binding protein 0.003 0.0261 0.0578
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0018 0.0125 0.0118
Echinococcus granulosus ETS transcription factor Elf 5 0.0011 0.0055 0.0111
Schistosoma mansoni cpg binding protein 0.0028 0.0243 0.0537
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0656 0.2325
Brugia malayi jmjC domain containing protein 0.0065 0.0656 0.247
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0156 0.0149
Brugia malayi isocitrate dehydrogenase 0.0018 0.0125 0.0393
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0156 1
Echinococcus granulosus lysine specific demethylase 5A 0.0065 0.0656 0.1477
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0156 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0656 0.1477
Loa Loa (eye worm) D-ets-2 protein 0.0011 0.0055 0.0109
Loa Loa (eye worm) hypothetical protein 0.0017 0.0118 0.0339
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0156 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0156 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0156 0.0478
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0156 1
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0055 0.0049
Echinococcus multilocularis ETS transcription factor Elf 2 0.0011 0.0055 0.0049
Loa Loa (eye worm) hypothetical protein 0.025 0.2734 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0026 0.0019
Echinococcus granulosus ETS domain containing protein Elk 1 0.0011 0.0055 0.0111
Echinococcus multilocularis JmjC domain containing protein 4 0.0017 0.0118 0.0111
Schistosoma mansoni hypothetical protein 0.0017 0.0125 0.0269
Toxoplasma gondii histone lysine methyltransferase SET1 0.0053 0.0523 0.155
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0018 0.0125 0.1919
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0018 0.0136 0.0294
Loa Loa (eye worm) hypothetical protein 0.0017 0.0118 0.0339
Echinococcus multilocularis ETS transcription factor Elf 1 0.0011 0.0055 0.0049
Onchocerca volvulus 0.0028 0.0243 0.5
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0017 0.0118 0.0253
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0018 0.0125 0.0118
Echinococcus granulosus JmjC domain containing protein 4 0.0017 0.0118 0.0253
Loa Loa (eye worm) hypothetical protein 0.0055 0.0548 0.1928
Echinococcus granulosus jumonji domain containing 1A 0.0017 0.0118 0.0253
Toxoplasma gondii isocitrate dehydrogenase 0.0018 0.0125 0.0028
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0156 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0548 0.1928
Brugia malayi Isocitrate dehydrogenase 0.0018 0.0125 0.0393
Schistosoma mansoni hypothetical protein 0.0399 0.4397 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0063 0.0638 0.0631
Loa Loa (eye worm) hypothetical protein 0.0038 0.0352 0.1204
Loa Loa (eye worm) jmjC domain-containing protein 0.0017 0.0118 0.0339
Brugia malayi CXXC zinc finger family protein 0.0028 0.0243 0.0853
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0243 0.08
Loa Loa (eye worm) hypothetical protein 0.025 0.2734 1
Schistosoma mansoni hypothetical protein 0.0038 0.0352 0.0786
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0018 0.0125 0.1919
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0125 0.0118
Schistosoma mansoni ap endonuclease 0.002 0.0156 0.0339
Echinococcus multilocularis ewsr:fli fusion protein type 0.0011 0.0055 0.0049
Echinococcus multilocularis jumonji domain containing 1A 0.0017 0.0118 0.0111
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0125 0.0118
Loa Loa (eye worm) fli-1 protein 0.0237 0.2578 0.9424
Schistosoma mansoni gabp alpha 0.0078 0.0802 0.181
Toxoplasma gondii hypothetical protein 0.025 0.2734 1
Echinococcus granulosus dnaJ subfamily B 0.0399 0.4397 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.025 0.2734 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0156 1
Schistosoma mansoni hypothetical protein 0.0017 0.0125 0.0269
Loa Loa (eye worm) DNA-binding protein D-ETS-3 0.0011 0.0055 0.0109
Schistosoma mansoni hypothetical protein 0.0017 0.0125 0.0269
Echinococcus multilocularis ETS domain containing protein Elk 1 0.0011 0.0055 0.0049
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0156 0.5
Brugia malayi jmjC domain containing protein 0.0063 0.0638 0.24
Brugia malayi jmjC domain containing protein 0.0017 0.0118 0.0365
Schistosoma mansoni polyomavirus enhancer activator 3 pea3 0.0011 0.0055 0.0111
Brugia malayi Fli-1 protein 0.0237 0.2578 1
Echinococcus multilocularis lysine specific demethylase 5A 0.0063 0.0638 0.0631
Loa Loa (eye worm) hypothetical protein 0.0067 0.0675 0.2396
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0125 0.0365
Schistosoma mansoni jumonji/arid domain-containing protein 0.0065 0.0656 0.1477
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0018 0.0125 0.1919
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0156 0.5
Brugia malayi transcription factor E74 isoform 0.0011 0.0055 0.012

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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