Detailed information for compound 987078

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 475.508 | Formula: C28H26FNO5
  • H donors: 0 H acceptors: 2 LogP: 5.52 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)c1cn(CC)c2c(c1=O)cc(c(c2OCc1ccccc1)OCc1ccccc1)F
  • InChi: 1S/C28H26FNO5/c1-3-30-16-22(28(32)33-4-2)25(31)21-15-23(29)26(34-17-19-11-7-5-8-12-19)27(24(21)30)35-18-20-13-9-6-10-14-20/h5-16H,3-4,17-18H2,1-2H3
  • InChiKey: WZGCTZGVFRAKHX-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
Brugia malayi C1-like domain containing protein 0.0286 0.4306 0.7562
Trypanosoma cruzi squalene monooxygenase, putative 0.0547 1 0.5
Echinococcus multilocularis protein kinase c epsilon type 0.0322 0.5086 1
Schistosoma mansoni serine/threonine protein kinase 0.03 0.4612 0.9067
Loa Loa (eye worm) hypothetical protein 0.0386 0.6473 0.9973
Loa Loa (eye worm) hypothetical protein 0.0386 0.6491 1
Loa Loa (eye worm) hypothetical protein 0.0202 0.2469 0.3804
Trypanosoma brucei squalene monooxygenase, putative 0.0547 1 0.5
Brugia malayi Protein kinase c protein 2 0.0222 0.2901 0.3169
Echinococcus granulosus protein kinase c epsilon type 0.0322 0.5086 1
Loa Loa (eye worm) hypothetical protein 0.0305 0.4708 0.7253
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0204 0.2524 0.3888
Loa Loa (eye worm) hypothetical protein 0.0305 0.4708 0.7253
Onchocerca volvulus 0.0305 0.4708 1
Schistosoma mansoni protein kinase C mu 0.0286 0.4306 0.8467
Trypanosoma cruzi squalene monooxygenase, putative 0.0547 1 0.5
Echinococcus granulosus protein kinase C gamma type 0.0218 0.2829 0.5562
Loa Loa (eye worm) hypothetical protein 0.0212 0.2696 0.4153
Schistosoma mansoni atypical protein kinase C 0.026 0.3744 0.736
Echinococcus granulosus serine:threonine protein kinase N2 0.0155 0.1442 0.2834
Loa Loa (eye worm) hypothetical protein 0.0284 0.4252 0.6551
Echinococcus multilocularis RNA directed DNA polymerase 0.0131 0.0913 0.1795
Schistosoma mansoni serine/threonine protein kinase 0.0322 0.5086 1
Onchocerca volvulus 0.0202 0.2469 0.5244
Loa Loa (eye worm) CAMK/PKD protein kinase 0.0286 0.4306 0.6634
Loa Loa (eye worm) hypothetical protein 0.0305 0.4708 0.7253
Echinococcus multilocularis serine threonine protein kinase 0.0218 0.2829 0.5562
Echinococcus granulosus RNA directed DNA polymerase 0.0131 0.0913 0.1795
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0131 0.0913 0.1795
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.0286 0.4306 0.7562
Echinococcus granulosus Protein kinase C brain isozyme 0.03 0.4612 0.9067
Onchocerca volvulus 0.0284 0.4252 0.9031
Loa Loa (eye worm) hypothetical protein 0.0131 0.0913 0.1406
Echinococcus multilocularis serine:threonine protein kinase N2 0.0233 0.3152 0.6198
Loa Loa (eye worm) hypothetical protein 0.029 0.44 0.6779
Schistosoma mansoni serine/threonine protein kinase 0.03 0.4612 0.9067
Echinococcus multilocularis Protein kinase C, brain isozyme 0.03 0.4612 0.9067
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0322 0.5086 0.7836
Loa Loa (eye worm) hypothetical protein 0.0202 0.2469 0.3804
Echinococcus granulosus protein kinase c iota type 0.0254 0.3598 0.7074
Onchocerca volvulus 0.029 0.44 0.9346
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0182 0.2033 0.3132
Echinococcus multilocularis protein kinase c iota type 0.0254 0.3598 0.7074
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.014 0.1118 0.1723
Brugia malayi protein kinase C II. 0.0322 0.5086 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0162 0.159 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.7 ug ml-1 Antitrypanosomal activity against trypomastigotes of Trypanosoma cruzi Tulahuen C2C4 containing lacZ gene in rat L6 cells after 4 days ChEMBL. 19095449

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma cruzi ChEMBL23 19095449

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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