Detailed information for compound 977073

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 356.387 | Formula: C21H21FO4
  • H donors: 1 H acceptors: 3 LogP: 4.19 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC1=C(O)c2c(=O)cc(oc2C(C1=O)(CC)CC)c1cccc(c1)F
  • InChi: 1S/C21H21FO4/c1-4-14-18(24)17-15(23)11-16(12-8-7-9-13(22)10-12)26-20(17)21(5-2,6-3)19(14)25/h7-11,24H,4-6H2,1-3H3
  • InChiKey: IPCIHHDZFLCBNH-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
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.029 0.0211 0.0284
Echinococcus granulosus protein kinase c iota type 0.0433 0.1207 0.3514
Loa Loa (eye worm) hypothetical protein 0.0277 0.0123 0.0123
Loa Loa (eye worm) raf kinase 0.0277 0.0123 0.0123
Brugia malayi Protein kinase domain containing protein 0.0286 0.0182 0.0061
Echinococcus multilocularis Protein kinase C, brain isozyme 0.0684 0.2956 0.9184
Schistosoma mansoni serine/threonine protein kinase 0.0684 0.2956 0.2936
Loa Loa (eye worm) hypothetical protein 0.1112 0.5939 0.5939
Echinococcus granulosus unc 13 munc13 0.029 0.0211 0.0284
Echinococcus granulosus protein kinase C gamma type 0.0407 0.1025 0.2924
Loa Loa (eye worm) CAMK/PKD protein kinase 0.1663 0.9775 0.9775
Echinococcus granulosus protein kinase c epsilon type 0.072 0.3208 1
Echinococcus multilocularis myotubularin protein 13 0.0318 0.0407 0.0921
Loa Loa (eye worm) hypothetical protein 0.1377 0.7784 0.7784
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.1663 0.9775 1
Loa Loa (eye worm) hypothetical protein 0.0277 0.0123 0.0123
Echinococcus granulosus serine:threonine protein kinase N2 0.0283 0.0164 0.0133
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0277 0.0123 0.0123
Echinococcus granulosus myotubularin protein 13 0.0318 0.0407 0.0921
Loa Loa (eye worm) hypothetical protein 0.0835 0.4008 0.4008
Loa Loa (eye worm) hypothetical protein 0.0991 0.5092 0.5092
Echinococcus granulosus C2 calcium dependent membrane targeting 0.029 0.0211 0.0284
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.072 0.3208 0.3208
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.0286 0.0182 0.0191
Schistosoma mansoni serine/threonine protein kinase 0.0286 0.0182 0.0061
Schistosoma mansoni serine/threonine protein kinase 0.0286 0.0182 0.0061
Onchocerca volvulus 0.1654 0.9716 0.971
Loa Loa (eye worm) hypothetical protein 0.0277 0.0123 0.0123
Brugia malayi C1-like domain containing protein 0.1663 0.9775 1
Onchocerca volvulus 0.0835 0.4008 0.3879
Loa Loa (eye worm) hypothetical protein 0.1377 0.7784 0.7784
Loa Loa (eye worm) hypothetical protein 0.0516 0.1785 0.1785
Loa Loa (eye worm) hypothetical protein 0.1654 0.9716 0.9716
Echinococcus multilocularis protein kinase c epsilon type 0.072 0.3208 1
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.0286 0.0182 0.0191
Schistosoma mansoni serine/threonine protein kinase 0.0684 0.2956 0.2936
Echinococcus granulosus Protein kinase C brain isozyme 0.0684 0.2956 0.9184
Echinococcus multilocularis serine:threonine protein kinase N2 0.043 0.1189 0.3455
Loa Loa (eye worm) hypothetical protein 0.0835 0.4008 0.4008
Loa Loa (eye worm) hypothetical protein 0.0835 0.4008 0.4008
Loa Loa (eye worm) hypothetical protein 0.0277 0.0123 0.0123
Schistosoma mansoni unc-13 (munc13) 0.029 0.0211 0.0091
Loa Loa (eye worm) hypothetical protein 0.0277 0.0123 0.0123
Brugia malayi protein kinase C II. 0.072 0.3208 0.3196
Schistosoma mansoni vav2 0.0318 0.0407 0.0294
Schistosoma mansoni atypical protein kinase C 0.0433 0.1207 0.1123
Loa Loa (eye worm) hypothetical protein 0.0318 0.0407 0.0407
Toxoplasma gondii diacylglycerol kinase, putative 0.0277 0.0123 0.5
Brugia malayi protein kinase C3,putative 0.0286 0.0182 0.0061
Schistosoma mansoni serine/threonine protein kinase 0.072 0.3208 0.3196
Onchocerca volvulus 0.1695 1 1
Entamoeba histolytica PH domain containing protein kinase, putative 0.0324 0.0448 1
Echinococcus multilocularis unc 13 (munc13) 0.029 0.0211 0.0284
Brugia malayi Pleckstrin Homology Domain 0.0318 0.0407 0.0294
Echinococcus multilocularis serine threonine protein kinase 0.0407 0.1025 0.2924
Schistosoma mansoni protein kinase C mu 0.1663 0.9775 1
Loa Loa (eye worm) hypothetical protein 0.029 0.0211 0.0211
Onchocerca volvulus 0.1377 0.7784 0.7737
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0277 0.0123 0.0123
Brugia malayi Protein kinase c protein 2 0.0537 0.1931 0.1874
Schistosoma mansoni unc-13 (munc13) 0.029 0.0211 0.0091
Schistosoma mansoni protein kinase C 0.029 0.0211 0.0091
Loa Loa (eye worm) hypothetical protein 0.0277 0.0123 0.0123
Loa Loa (eye worm) RasGEF domain-containing protein 0.0277 0.0123 0.0123
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0277 0.0123 0.0123
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.0286 0.0182 0.0182
Echinococcus multilocularis protein kinase c iota type 0.0433 0.1207 0.3514
Loa Loa (eye worm) CAMK/PKD protein kinase 0.1385 0.7843 0.7843

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) > 56.2 uM Anticancer activity against human KB cells after 3 days by SRB assay ChEMBL. 20735140

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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