Detailed information for compound 1716525

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 348.352 | Formula: C20H16N2O4
  • H donors: 1 H acceptors: 3 LogP: 2.32 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)C1NC(=O)N=C(C1)C1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C20H16N2O4/c1-26-12-8-6-11(7-9-12)15-10-16(22-20(25)21-15)17-18(23)13-4-2-3-5-14(13)19(17)24/h2-9,15,17H,10H2,1H3,(H,21,25)
  • InChiKey: KBNRKRBZDPXMCQ-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
Loa Loa (eye worm) hypothetical protein 0.0079 0.6554 0.6554
Echinococcus multilocularis transient receptor potential gamma protein 0.0108 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.5112 0.4986
Schistosoma mansoni transient receptor potential channel 0.0108 1 1
Echinococcus granulosus transient receptor potential ion channel A 0.0104 0.9577 0.9566
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.004 0.2002 0.1797
Loa Loa (eye worm) hypothetical protein 0.0108 1 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.288 0.288
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.025 0.025
Loa Loa (eye worm) hypothetical protein 0.0038 0.1759 0.1759
Echinococcus granulosus short transient receptor potential channel 6 0.0071 0.57 0.559
Schistosoma mansoni bromodomain containing protein 0.007 0.558 0.558
Echinococcus multilocularis short transient receptor potential channel 6 0.0071 0.57 0.559
Loa Loa (eye worm) hypothetical protein 0.0037 0.16 0.16
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.3823 0.4979
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.5112 0.4986
Echinococcus multilocularis short transient receptor potential channel 6 0.0071 0.57 0.559
Echinococcus multilocularis TRP (transient receptor potential) channel 0.004 0.2024 0.1819
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.3823 0.4979
Echinococcus multilocularis transient receptor potential ion channel A 0.0104 0.9577 0.9566
Loa Loa (eye worm) hypothetical protein 0.0068 0.5277 0.5277
Brugia malayi Bromodomain containing protein 0.0043 0.2311 0.2673
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.004 0.2002 0.1797
Schistosoma mansoni hypothetical protein 0.0038 0.1759 0.1759
Echinococcus granulosus short transient receptor potential channel 6 0.0071 0.57 0.559
Schistosoma mansoni transient receptor potential channel 0.0071 0.57 0.57
Loa Loa (eye worm) hypothetical protein 0.0045 0.263 0.263
Brugia malayi Bromodomain containing protein 0.0083 0.7113 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.3823 0.3823
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.1759 0.183
Loa Loa (eye worm) hypothetical protein 0.004 0.2024 0.2024
Brugia malayi Transient-receptor-potential like protein 0.004 0.2024 0.2234
Schistosoma mansoni transient receptor potential channel 4 0.0108 1 1
Schistosoma mansoni transient receptor potential channel 0.0071 0.57 0.57
Loa Loa (eye worm) hypothetical protein 0.0043 0.2321 0.2321
Echinococcus granulosus TRP transient receptor potential channel 0.004 0.2024 0.1819
Loa Loa (eye worm) hypothetical protein 0.0055 0.3823 0.3823

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 31 % Analgesic activity in mouse assessed as inhibition of acetic-acid induced writhing at 10 mg/kg administered 15 mins prior to acetic acid-challenge measured for 15 mins relative to vehicle-treated control ChEMBL. 23159805
MIC (functional) = 250 ug ml-1 Antibacterial activity against Escherichia coli MTCC 4351 after 24 hrs by tube dilution method ChEMBL. 23159805
MIC (functional) = 250 ug ml-1 Antifungal activity against Candida albicans MTCC 183 after 48 hrs by tube dilution method ChEMBL. 23159805

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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