Detailed information for compound 1167449

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 402.53 | Formula: C22H34N4O3
  • H donors: 3 H acceptors: 1 LogP: 2.99 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(/C=C/C(=O)NCCCCC/N=C(/NCC=C(C)C)\N)ccc1OC
  • InChi: 1S/C22H34N4O3/c1-17(2)12-15-26-22(23)25-14-7-5-6-13-24-21(27)11-9-18-8-10-19(28-3)20(16-18)29-4/h8-12,16H,5-7,13-15H2,1-4H3,(H,24,27)(H3,23,25,26)/b11-9+
  • InChiKey: BTIYQDOBKZQOTH-PKNBQFBNSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 jumonji domain containing protein 0.0031 0.0002 0.0014
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0389 0.2286
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0031 0.0002 0.0002
Schistosoma mansoni hypothetical protein 0.0037 0.0067 0.0394
Brugia malayi jmjC domain containing protein 0.0031 0.0002 0.0009
Schistosoma mansoni o-methyltransferase 0.006 0.0358 0.2108
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0389 0.2286
Schistosoma mansoni hypothetical protein 0.0068 0.0457 0.2691
Schistosoma mansoni phosphatidylserine receptor 0.0031 0.0002 0.0014
Brugia malayi Pax transcription factor protein 2 0.0236 0.258 1
Schistosoma mansoni phd/f-box containing protein 0.0031 0.0002 0.0014
Loa Loa (eye worm) jmjC domain-containing protein 0.0031 0.0002 0.0009
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0389 0.2286
Onchocerca volvulus 0.0236 0.258 1
Mycobacterium leprae PROBABLE METHYLTRANSFERASE 0.006 0.0358 0.5
Echinococcus multilocularis JmjC domain containing protein 4 0.0031 0.0002 0.0002
Echinococcus granulosus tar DNA binding protein 0.0062 0.0389 0.2286
Schistosoma mansoni jumonji/arid domain-containing protein 0.0118 0.1093 0.6429
Schistosoma mansoni hypothetical protein 0.0166 0.17 1
Brugia malayi O-methyltransferase family protein 0.006 0.0358 0.1389
Brugia malayi TAR-binding protein 0.0062 0.0389 0.1506
Echinococcus granulosus lysine specific demethylase 5A 0.0118 0.1093 0.6429
Loa Loa (eye worm) pax transcription factor protein 2 0.0236 0.258 1
Echinococcus granulosus phd:f box containing protein 0.0031 0.0002 0.0014
Mycobacterium tuberculosis Probable catechol-O-methyltransferase 0.0516 0.6102 1
Echinococcus granulosus geminin 0.0166 0.17 1
Entamoeba histolytica hypothetical protein 0.0037 0.0067 0.5
Echinococcus multilocularis lysine specific demethylase 6a 0.0031 0.0002 0.0002
Echinococcus granulosus lysine specific demethylase 6a 0.0031 0.0002 0.0014
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0389 0.2286
Brugia malayi O-methyltransferase family protein 0.006 0.0358 0.1389
Entamoeba histolytica hypothetical protein 0.0037 0.0067 0.5
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0031 0.0002 0.5
Echinococcus multilocularis geminin 0.0166 0.17 0.17
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.0457 0.1773
Brugia malayi O-methyltransferase 0.006 0.0358 0.1389
Brugia malayi jmjC domain containing protein 0.0118 0.1093 0.4235
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0067 0.0067
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0118 0.1093 0.6429
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0389 0.1506
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0031 0.0002 0.5
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0031 0.0002 0.0014
Echinococcus multilocularis lysine specific demethylase 5A 0.0118 0.1093 0.1093
Brugia malayi O-methyltransferase family protein 0.006 0.0358 0.1389
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.0852 0.3301
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0031 0.0002 0.0014
Echinococcus multilocularis jumonji domain containing 1A 0.0031 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.006 0.0358 0.1389
Schistosoma mansoni protein phosphatase 2C 0.0031 0.0002 0.0014
Mycobacterium ulcerans O-methyltransferase 0.0576 0.6855 1
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0389 0.1506
Brugia malayi hypothetical protein 0.0037 0.0067 0.026
Loa Loa (eye worm) RNA binding protein 0.0062 0.0389 0.1506
Loa Loa (eye worm) hypothetical protein 0.0031 0.0002 0.0009
Schistosoma mansoni o-methyltransferase 0.006 0.0358 0.2108
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.0852 0.3301
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.0852 0.3301
Loa Loa (eye worm) hypothetical protein 0.0031 0.0002 0.0009
Entamoeba histolytica hypothetical protein 0.0037 0.0067 0.5
Echinococcus multilocularis phd:f box containing protein 0.0031 0.0002 0.0002
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0389 0.1506
Loa Loa (eye worm) jmjC domain-containing protein 0.0031 0.0002 0.0009
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0118 0.1093 0.1093
Loa Loa (eye worm) O-methyltransferase 0.006 0.0358 0.1389
Loa Loa (eye worm) hypothetical protein 0.0099 0.0852 0.3301
Schistosoma mansoni jumonji domain containing protein 0.0118 0.1093 0.6429
Brugia malayi jmjC domain containing protein 0.0031 0.0002 0.0009
Schistosoma mansoni o-methyltransferase 0.006 0.0358 0.2108
Plasmodium falciparum JmjC domain-containing protein, putative 0.0031 0.0002 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0118 0.1093 0.4235
Schistosoma mansoni o-methyltransferase 0.006 0.0358 0.2108
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0067 0.0394
Brugia malayi jmjC domain containing protein 0.0031 0.0002 0.0009
Brugia malayi jmjC domain containing protein 0.0031 0.0002 0.0009
Schistosoma mansoni hypothetical protein 0.0166 0.17 1
Plasmodium vivax JmjC domain containing protein 0.0031 0.0002 0.5
Brugia malayi jmjC domain containing protein 0.0118 0.1093 0.4235
Loa Loa (eye worm) jmjC domain-containing protein 0.0031 0.0002 0.0009
Loa Loa (eye worm) hypothetical protein 0.0031 0.0002 0.0009
Echinococcus granulosus jumonji domain containing 1A 0.0031 0.0002 0.0014
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0067 0.0394
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0389 0.2286
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0389 0.0389
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0031 0.0002 0.5
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0031 0.0002 0.5
Loa Loa (eye worm) hypothetical protein 0.0068 0.0457 0.1773
Schistosoma mansoni jumonji/arid domain-containing protein 0.0118 0.1093 0.6429
Wolbachia endosymbiont of Brugia malayi O-methyltransferase 0.006 0.0358 0.5
Leishmania major hypothetical protein, conserved 0.0031 0.0002 0.5
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0031 0.0002 0.5
Entamoeba histolytica hypothetical protein 0.0037 0.0067 0.5
Echinococcus granulosus JmjC domain containing protein 4 0.0031 0.0002 0.0014
Brugia malayi RNA binding protein 0.0062 0.0389 0.1506

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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