Detailed information for compound 561824

Basic information

Technical information
  • TDR Targets ID: 561824
  • Name: 3-methoxybutyl 2-cyanoprop-2-enoate
  • MW: 183.204 | Formula: C9H13NO3
  • H donors: 0 H acceptors: 2 LogP: 1.28 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(OC)CCOC(=O)C(=C)C#N
  • InChi: 1S/C9H13NO3/c1-7(6-10)9(11)13-5-4-8(2)12-3/h8H,1,4-5H2,2-3H3
  • InChiKey: STRJHGSZEIAJLP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-cyano-2-propenoic acid 3-methoxybutyl ester
  • 2-cyanoacrylic acid 3-methoxybutyl ester
  • 3-methoxybutylcyanoacrylate
  • 2-cyanoprop-2-enoic acid 3-methoxybutyl ester
  • 37870-87-4
  • 2-Propenoic acid, 2-cyano-, 3-methoxybutyl ester, homopolymer
  • MBCA

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
Loa Loa (eye worm) histone methyltransferase 0.0017 0.1014 0.1608
Loa Loa (eye worm) hypothetical protein 0.0044 0.337 0.738
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0603 0.5215
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0603 0.5215
Schistosoma mansoni cpg binding protein 0.0059 0.4722 0.4688
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0603 0.5215
Echinococcus multilocularis dna polymerase eta 0.0044 0.337 0.6902
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0603 0.5215
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.1141 0.1921
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.2213 0.1386
Trypanosoma cruzi DNA polymerase eta, putative 0.0044 0.337 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0603 0.5215
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.3522 0.348
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0082 0.0711
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0014 0.0711 0.0651
Schistosoma mansoni ap endonuclease 0.0019 0.1141 0.1084
Echinococcus granulosus mixed lineage leukemia protein mll 0.0014 0.0711 0.0811
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.1156 0.183
Loa Loa (eye worm) CXXC zinc finger family protein 0.0056 0.4439 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.3522 0.725
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0603 0.5215
Schistosoma mansoni DNA polymerase eta 0.0044 0.337 0.3327
Trichomonas vaginalis hypothetical protein 0.0007 0.0082 0.0711
Trypanosoma brucei unspecified product 0.0019 0.1156 0.3431
Toxoplasma gondii histone lysine methyltransferase SET1 0.0106 0.8876 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0636 0.1886
Schistosoma mansoni thyroid hormone receptor 0.001 0.0357 0.0295
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0357 0.0295
Echinococcus multilocularis cpg binding protein 0.0059 0.4722 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0636 0.1886
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0191 0.0127
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0019 0.1141 0.9865
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.1141 0.9872
Trypanosoma brucei unspecified product 0.0013 0.0636 0.1886
Schistosoma mansoni nuclear hormone receptor 0.001 0.0357 0.0295
Echinococcus granulosus cpg binding protein 0.0059 0.4722 1
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0357 0.0295
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0357 0.0295
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.1156 1
Brugia malayi F/Y-rich N-terminus family protein 0.0017 0.0994 0.156
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.1156 0.183
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.3522 0.348
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0357 0.0295
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.1141 0.1796
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.1141 0.1921
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0603 0.5215
Trypanosoma brucei DNA polymerase kappa, putative 0.0013 0.0636 0.1886
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.1156 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.3522 0.725
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.1156 0.0066
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.3522 0.7753
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.3522 0.725
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1156 0.3431
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0357 0.0295
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.1141 0.5
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0603 0.5215
Leishmania major DNA polymerase kappa, putative 0.0019 0.1156 0.0066
Onchocerca volvulus 0.0056 0.4439 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0014 0.0711 0.0811
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0082 0.0711
Echinococcus multilocularis dna polymerase kappa 0.0019 0.1156 0.183
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.2213 0.6568
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1141 0.5
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0357 0.0295
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.1156 1
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0603 0.5215
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.1156 0.1957
Trypanosoma brucei DNA polymerase eta, putative 0.0044 0.337 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.1141 0.3387
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1156 0.3431
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0017 0.1014 0.1504
Brugia malayi ImpB/MucB/SamB family protein 0.0044 0.337 0.738
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0603 0.5215
Giardia lamblia DINP protein human, muc B family 0.0019 0.1156 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.3522 0.725
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0357 0.0295
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0603 0.5215
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.1141 0.1796
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0603 0.5215
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0603 0.5215
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0603 0.5215
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.1156 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Schistosoma mansoni thyroid hormone receptor 0.001 0.0357 0.0295
Schistosoma mansoni cpg binding protein 0.0056 0.4439 0.4403
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0014 0.0711 0.0811
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.1156 0.3431
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0603 0.5215
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.3522 0.7753
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.1141 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.1141 0.3387
Trichomonas vaginalis conserved hypothetical protein 0.0013 0.0603 0.5215
Leishmania major DNA polymerase eta, putative 0.0031 0.2213 0.481
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0357 0.0295
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0014 0.0711 0.0811
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Schistosoma mansoni coup transcription factor 0.001 0.0357 0.0295
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0017 0.1014 0.1504
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0603 0.5215
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.1156 1
Leishmania major DNA polymerase eta, putative 0.0044 0.337 1
Trichomonas vaginalis helicase, putative 0.0013 0.0603 0.5215
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.1156 0.1957
Echinococcus granulosus dna polymerase kappa 0.0019 0.1156 0.183
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.3522 0.348
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.1156 1
Trypanosoma brucei unspecified product 0.0013 0.0636 0.1886
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.1156 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.1156 0.1099
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.1141 0.3387
Brugia malayi CXXC zinc finger family protein 0.0056 0.4439 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.1156 0.1099
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Schistosoma mansoni cpg binding protein 0.0059 0.4722 0.4688
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0357 0.0295
Echinococcus granulosus dna polymerase eta 0.0044 0.337 0.6902
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.1141 0.9872
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.1156 0.3431
Schistosoma mansoni ap endonuclease 0.0019 0.1141 0.1084
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.1141 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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