Detailed information for compound 1142071

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 429.468 | Formula: C25H23N3O4
  • H donors: 1 H acceptors: 4 LogP: 5.34 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1c1nnn(c1)c1ccc(c(c1)C(=O)OCCCc1ccccc1)O
  • InChi: 1S/C25H23N3O4/c1-31-24-12-6-5-11-20(24)22-17-28(27-26-22)19-13-14-23(29)21(16-19)25(30)32-15-7-10-18-8-3-2-4-9-18/h2-6,8-9,11-14,16-17,29H,7,10,15H2,1H3
  • InChiKey: GVNZCYBJLQQDMZ-UHFFFAOYSA-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
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0044 0.1626 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.183 0.1118
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0044 0.1626 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0044 0.1626 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0801 0.0367
Loa Loa (eye worm) hypothetical protein 0.0039 0.1231 0.0467
Brugia malayi Bromodomain containing protein 0.008 0.4346 0.408
Loa Loa (eye worm) acetyltransferase 0.0145 0.9296 0.9235
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.1984 0.1285
Brugia malayi Bromodomain containing protein 0.0042 0.1492 0.109
Plasmodium falciparum histone acetyltransferase GCN5 0.0038 0.1176 0.5
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0145 0.9296 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0044 0.1626 0.1846
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.3156 0.3584
Loa Loa (eye worm) hypothetical protein 0.0154 1 1
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0044 0.1626 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.3156 0.3395
Brugia malayi acetyltransferase, GNAT family protein 0.0145 0.9296 0.9263
Schistosoma mansoni hypothetical protein 0.0033 0.0801 0.0862
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.1984 0.1606
Loa Loa (eye worm) hypothetical protein 0.0072 0.3747 0.3203
Echinococcus multilocularis zinc finger protein 0.0023 0.0035 0.0038
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.1984 0.1606
Entamoeba histolytica acetyltransferase, GNAT family 0.0038 0.1176 0.5
Echinococcus granulosus histone acetyltransferase KAT2B 0.0138 0.8808 1
Giardia lamblia Histone acetyltransferase GCN5 0.0038 0.1176 0.5
Echinococcus granulosus zinc finger protein 0.0023 0.0035 0.004
Schistosoma mansoni zinc finger protein 0.0023 0.0035 0.0038
Onchocerca volvulus 0.0154 1 0.5
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0145 0.9296 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0037 0.1041 0.1182
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0044 0.1626 0.5
Loa Loa (eye worm) hypothetical protein 0.0045 0.1681 0.0957
Loa Loa (eye worm) hypothetical protein 0.0049 0.1984 0.1285
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0037 0.1041 0.112
Schistosoma mansoni bromodomain containing protein 0.0068 0.3435 0.3695

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 4 % Growth inhibition of human CCRF-CEM cells at 10 uM after 2 days by MTT assay ChEMBL. 20570145
Inhibition (functional) = 7 % Growth inhibition of human HCT116 cells at 10 uM after 2 days by MTT assay ChEMBL. 20570145

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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