Detailed information for compound 893513

Basic information

Technical information
  • TDR Targets ID: 893513
  • Name: ethyl 4-[3-[(E)-[1-(4-methoxyphenyl)-2,4,6-tr ioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimet hylpyrrol-1-yl]benzoate
  • MW: 487.504 | Formula: C27H25N3O6
  • H donors: 1 H acceptors: 4 LogP: 4.09 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1ccc(cc1)n1c(C)cc(c1C)C=C1C(=O)NC(=O)N(C1=O)c1ccc(cc1)OC
  • InChi: 1S/C27H25N3O6/c1-5-36-26(33)18-6-8-20(9-7-18)29-16(2)14-19(17(29)3)15-23-24(31)28-27(34)30(25(23)32)21-10-12-22(35-4)13-11-21/h6-15H,5H2,1-4H3,(H,28,31,34)/b23-15+
  • InChiKey: BDDXHHDQEWXEOL-HZHRSRAPSA-N  

Network

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Synonyms

  • ethyl 4-[3-[[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethylpyrrol-1-yl]benzoate
  • ethyl 4-[3-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate
  • ethyl 4-[3-[[1-(4-methoxyphenyl)-2,4,6-trioxo-hexahydropyrimidin-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate
  • 4-[3-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-5-hexahydropyrimidinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester
  • 4-[3-[[1-(4-methoxyphenyl)-2,4,6-trioxo-5-hexahydropyrimidinylidene]methyl]-2,5-dimethyl-1-pyrrolyl]benzoic acid ethyl ester
  • 4-[2,5-dimethyl-3-[[2,4,6-triketo-1-(4-methoxyphenyl)hexahydropyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid ethyl ester
  • 4-[2,5-dimethyl-3-[(E)-[2,4,6-triketo-1-(4-methoxyphenyl)hexahydropyrimidin-5-ylidene]methyl]pyrrol-1-yl]benzoic acid ethyl ester
  • ethyl 4-[3-[(E)-[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate
  • ethyl 4-[3-[[1-(4-methoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-ylidene]methyl]-2,5-dimethyl-pyrrol-1-yl]benzoate
  • BAS 00887294
  • STK107796

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 Cyclin, N-terminal domain containing protein 0.0099 0.051 0.0417
Trichomonas vaginalis cyclins, putative 0.0137 0.2062 1
Trichomonas vaginalis cyclin D, putative 0.0099 0.051 0.2102
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0089 0.0097 0.0097
Echinococcus multilocularis cyclins 0.0099 0.051 0.0417
Brugia malayi Protein kinase domain containing protein 0.0181 0.3842 0.3781
Leishmania major CYC2-like cyclin, putative,cyclin 6, putative 0.0137 0.2062 1
Trichomonas vaginalis cyclin B, putative 0.0137 0.2062 1
Loa Loa (eye worm) hypothetical protein 0.0137 0.2062 0.2062
Trichomonas vaginalis cyclin B3, putative 0.0099 0.051 0.2102
Echinococcus multilocularis cyclin B 0.0137 0.2062 0.1985
Loa Loa (eye worm) cyclin domain-containing protein 0.0099 0.051 0.051
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0089 0.0097 0.0097
Trichomonas vaginalis cyclin B, putative 0.0137 0.2062 1
Echinococcus multilocularis cyclins 0.0099 0.051 0.0417
Echinococcus granulosus cyclins 0.0099 0.051 0.0417
Trichomonas vaginalis cyclin B, putative 0.0137 0.2062 1
Trichomonas vaginalis cyclin D, putative 0.0099 0.051 0.2102
Giardia lamblia Hypothetical protein 0.0099 0.051 0.2102
Echinococcus granulosus G2:mitotic specific cyclin B3 0.0099 0.051 0.0417
Trichomonas vaginalis cyclins, putative 0.0137 0.2062 1
Trichomonas vaginalis cyclin B, putative 0.0137 0.2062 1
Onchocerca volvulus 0.0137 0.2062 0.5
Schistosoma mansoni cyclin d 0.0331 1 1
Trypanosoma brucei mitotic cyclin 6 0.0137 0.2062 1
Echinococcus multilocularis cyclin b3 0.0099 0.051 0.0417
Brugia malayi Cyclin, N-terminal domain containing protein 0.0137 0.2062 0.1985
Echinococcus granulosus cyclins 0.0099 0.051 0.0417
Giardia lamblia Cyclin A 0.0099 0.051 0.2102
Echinococcus multilocularis cyclins 0.0099 0.051 0.0417
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0089 0.0097 0.0097
Trichomonas vaginalis cyclins, putative 0.0137 0.2062 1
Trypanosoma cruzi CYC2-like cyclin, putative 0.0137 0.2062 1
Schistosoma mansoni cyclin B3 0.0099 0.051 0.0417
Entamoeba histolytica cyclin family protein 0.0099 0.051 0.2102
Trichomonas vaginalis cyclin A, putative 0.0137 0.2062 1
Plasmodium vivax protein kinase Crk2 0.0089 0.0097 0.5
Echinococcus granulosus cyclin B3 1 0.0099 0.051 0.0417
Loa Loa (eye worm) hypothetical protein 0.0137 0.2062 0.2062
Plasmodium falciparum cyclin 0.0099 0.051 1
Echinococcus granulosus cyclin b3 0.0099 0.051 0.0417
Echinococcus granulosus cyclins 0.0099 0.051 0.0417
Loa Loa (eye worm) CAMK/CAMKL/CHK1 protein kinase 0.0181 0.3842 0.3842
Trichomonas vaginalis cyclins, putative 0.0099 0.051 0.2102
Echinococcus multilocularis G1:S specific cyclin D1 0.0331 1 1
Loa Loa (eye worm) hypothetical protein 0.0331 1 1
Echinococcus multilocularis cyclins 0.0099 0.051 0.0417
Brugia malayi Cyclin, N-terminal domain containing protein 0.0137 0.2062 0.1985
Toxoplasma gondii cell-cycle-associated protein kinase CDK, putative 0.0089 0.0097 0.5
Echinococcus granulosus cyclins 0.0099 0.051 0.0417
Echinococcus granulosus cyclins 0.0099 0.051 0.0417
Echinococcus multilocularis cyclins 0.0099 0.051 0.0417
Entamoeba histolytica cyclin, putative 0.0137 0.2062 1
Echinococcus multilocularis cyclin B3 1 0.0099 0.051 0.0417
Echinococcus multilocularis cyclins 0.0099 0.051 0.0417
Leishmania major cyclin 0.0137 0.2062 1
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.051 0.2102
Echinococcus multilocularis cyclins 0.0099 0.051 0.0417
Loa Loa (eye worm) hypothetical protein 0.0307 0.9018 0.9018
Echinococcus granulosus G1:S specific cyclin D1 0.0331 1 1
Echinococcus granulosus cyclin B 0.0137 0.2062 0.1985
Trypanosoma cruzi cyclin 6, putative 0.0137 0.2062 1
Entamoeba histolytica cyclin family protein 0.0099 0.051 0.2102
Entamoeba histolytica cyclin, putative 0.0099 0.051 0.2102
Schistosoma mansoni serine/threonine protein kinase 0.0181 0.3842 0.3781
Schistosoma mansoni cyclin B 0.0137 0.2062 0.1985
Trichomonas vaginalis cyclin B, putative 0.0099 0.051 0.2102
Echinococcus multilocularis G2:mitotic specific cyclin B3 0.0099 0.051 0.0417
Trichomonas vaginalis cyclins, putative 0.0137 0.2062 1
Trypanosoma cruzi cyclin, putative 0.0137 0.2062 1
Schistosoma mansoni cyclins 0.0099 0.051 0.0417
Giardia lamblia G2/mitotic-specific cyclin B 0.0137 0.2062 1
Trypanosoma cruzi cyclin, putative 0.0137 0.2062 1

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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