Detailed information for compound 761547

Basic information

Technical information
  • TDR Targets ID: 761547
  • Name: methyl (4Z)-1-[2-(1-cyclohexenyl)ethyl]-4-[(4 -dimethylaminophenyl)methylidene]-2-methyl-5- oxopyrrole-3-carboxylate
  • MW: 394.507 | Formula: C24H30N2O3
  • H donors: 0 H acceptors: 2 LogP: 4.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)N(C)C)CCC1=CCCCC1
  • InChi: 1S/C24H30N2O3/c1-17-22(24(28)29-4)21(16-19-10-12-20(13-11-19)25(2)3)23(27)26(17)15-14-18-8-6-5-7-9-18/h8,10-13,16H,5-7,9,14-15H2,1-4H3/b21-16-
  • InChiKey: HZZCZHRJVBREDZ-PGMHBOJBSA-N  

Network

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Synonyms

  • methyl 1-[2-(1-cyclohexenyl)ethyl]-4-[(4-dimethylaminophenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
  • methyl (4Z)-1-[2-(1-cyclohexenyl)ethyl]-4-[(4-dimethylaminophenyl)methylene]-2-methyl-5-oxo-pyrrole-3-carboxylate
  • methyl 1-[2-(1-cyclohexenyl)ethyl]-4-[(4-dimethylaminophenyl)methylene]-2-methyl-5-oxo-pyrrole-3-carboxylate
  • (4Z)-1-[2-(1-cyclohexenyl)ethyl]-4-[(4-dimethylaminophenyl)methylene]-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester
  • 1-[2-(1-cyclohexenyl)ethyl]-4-[(4-dimethylaminophenyl)methylene]-2-methyl-5-oxo-3-pyrrolecarboxylic acid methyl ester
  • (4Z)-1-[2-(1-cyclohexenyl)ethyl]-4-(4-dimethylaminobenzylidene)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester
  • 1-[2-(1-cyclohexenyl)ethyl]-4-(4-dimethylaminobenzylidene)-5-keto-2-methyl-2-pyrroline-3-carboxylic acid methyl ester
  • methyl 1-[2-(1-cyclohexenyl)ethyl]-4-[(4-dimethylaminophenyl)methylidene]-2-methyl-5-oxo-pyrrole-3-carboxylate
  • methyl (4Z)-1-[2-(1-cyclohexenyl)ethyl]-4-[(4-dimethylaminophenyl)methylidene]-2-methyl-5-oxo-pyrrole-3-carboxylate
  • ZINC01101761
  • STK161477

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
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 1 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.5833 0.5833
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.5627 0.5627
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.8382 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.5833 0.5568
Echinococcus granulosus intermediate filament protein 0.0027 0.5833 0.5833
Schistosoma mansoni inositol monophosphatase 0.0036 1 1
Echinococcus multilocularis musashi 0.0027 0.5833 0.5833
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 1 0.5
Echinococcus granulosus lamin 0.0027 0.5833 0.5833
Loa Loa (eye worm) hypothetical protein 0.0027 0.5833 0.5833
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 1 0.5
Schistosoma mansoni inositol monophosphatase 0.0036 1 1
Loa Loa (eye worm) inositol-1 0.0036 1 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 1 0.5
Echinococcus multilocularis inositol monophosphatase 1 0.0036 1 1
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 1 0.5
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 1 0.5
Onchocerca volvulus 0.0027 0.5833 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 1 0.5
Echinococcus granulosus inositol monophosphatase 1 0.0036 1 1
Echinococcus multilocularis lamin dm0 0.0027 0.5833 0.5833
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 1 0.5
Loa Loa (eye worm) intermediate filament protein 0.0027 0.5833 0.5833
Echinococcus multilocularis lamin 0.0027 0.5833 0.5833
Echinococcus granulosus lamin dm0 0.0027 0.5833 0.5833
Onchocerca volvulus 0.0027 0.5833 0.5
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0033 0.8382 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 1 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0599 0.0599
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 1 0.5
Brugia malayi intermediate filament protein 0.0027 0.5833 0.5568

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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