Detailed information for compound 1526515

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 435.515 | Formula: C25H29N3O4
  • H donors: 1 H acceptors: 4 LogP: 4.61 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(/C=C/c1cccc(c1)[N+](=O)[O-])NCCCCC1CCN(CC1)C(=O)c1ccccc1
  • InChi: 1S/C25H29N3O4/c29-24(13-12-21-8-6-11-23(19-21)28(31)32)26-16-5-4-7-20-14-17-27(18-15-20)25(30)22-9-2-1-3-10-22/h1-3,6,8-13,19-20H,4-5,7,14-18H2,(H,26,29)/b13-12+
  • InChiKey: DUCPXMQWSZMAND-OUKQBFOZSA-N  

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
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0696 0.1287
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.2079 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.2444 0.2314
Schistosoma mansoni zinc finger protein 0.0021 0.0411 0.0891
Schistosoma mansoni hypothetical protein 0.0022 0.0513 0.1112
Brugia malayi Bromodomain containing protein 0.004 0.221 0.1417
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0169 0.0366
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0039 0.2079 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0169 0.0366
Echinococcus granulosus inositol monophosphatase 1 0.0039 0.2079 0.4662
Loa Loa (eye worm) hypothetical protein 0.0041 0.2217 0.2083
Echinococcus granulosus zinc finger protein 0.0021 0.0411 0.0592
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0169 0.0366
Loa Loa (eye worm) hypothetical protein 0.0045 0.2627 0.2501
Loa Loa (eye worm) transcription factor SMAD2 0.0126 1 1
Loa Loa (eye worm) hypothetical protein 0.0075 0.5325 0.5245
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.2079 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.4266 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0035 0.1707 0.5
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0039 0.2079 0.5
Brugia malayi Bromodomain containing protein 0.0079 0.5736 0.5302
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0513 0.035
Echinococcus multilocularis inositol monophosphatase 1 0.0039 0.2079 0.4662
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0696 0.151
Echinococcus multilocularis zinc finger protein 0.0021 0.0411 0.0592
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.4266 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.1982 0.4427
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 1 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.2079 0.5
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0035 0.1707 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0039 0.2079 0.5
Schistosoma mansoni inositol monophosphatase 0.0039 0.2079 0.4509
Brugia malayi Inositol-1 0.0039 0.2079 0.1273
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0039 0.2079 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.2079 1
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0227 0.006
Schistosoma mansoni bromodomain containing protein 0.0067 0.461 1
Loa Loa (eye worm) inositol-1 0.0039 0.2079 0.1943
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0696 0.1287
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.1982 0.4427
Schistosoma mansoni inositol monophosphatase 0.0039 0.2079 0.4509
Trichomonas vaginalis inositol monophosphatase, putative 0.0039 0.2079 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0018 0.0169 0.0366
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0039 0.2079 0.5
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0039 0.2079 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 103.1 % Antitumor activity against human MCF7 cells after 6 days by SRB assay ChEMBL. 21330015

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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