Detailed information for compound 1657818

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 604.732 | Formula: C33H49F5O4
  • H donors: 4 H acceptors: 4 LogP: 6.63 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: O[C@H]1C[C@H](O)C(=C)/C(=C\C=C\2/CCC[C@]3([C@H]2CC[C@@H]3[C@H](C/C=C/C(C(F)(F)F)(C(F)(F)C)O)CCCC(O)(C)C)C)/C1
  • InChi: 1S/C33H49F5O4/c1-21-24(19-25(39)20-28(21)40)13-12-23-10-7-17-30(4)26(14-15-27(23)30)22(9-6-16-29(2,3)41)11-8-18-32(42,31(5,34)35)33(36,37)38/h8,12-13,18,22,25-28,39-42H,1,6-7,9-11,14-17,19-20H2,2-5H3/b18-8+,23-12+,24-13-/t22-,25+,26+,27-,28-,30+,32?/m0/s1
  • InChiKey: MBORAXGXLXZGNZ-RPZHMCMMSA-N  


Substructure search Similarity search

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 hypothetical protein, conserved 0.1393 0.2473 0.5
Toxoplasma gondii ran binding protein 0.0496 0.0254 0.0113
Schistosoma mansoni zinc finger protein 0.0496 0.0254 0.0026
Trichomonas vaginalis AGC family protein kinase 0.0686 0.0725 0.0205
Schistosoma mansoni protein kinase C mu 0.05 0.0265 0.0037
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0686 0.0725 0.0725
Onchocerca volvulus 0.0586 0.0478 0.111
Entamoeba histolytica protein kinase, putative 0.0686 0.0725 1
Toxoplasma gondii SWIB/MDM2 domain-containing protein 0.1393 0.2473 1
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0586 0.0478 0.0478
Schistosoma mansoni serine/threonine kinase 0.0686 0.0725 0.0509
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0496 0.0254 0.0031
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0686 0.0725 0.0725
Echinococcus multilocularis SWI:SNF matrix associated 0.1393 0.2473 0.2473
Onchocerca volvulus 0.0496 0.0254 0.0113
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.05 0.0265 0.0047
Brugia malayi Hr1 repeat family protein 0.0686 0.0725 0.0613
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0496 0.0254 0.5
Echinococcus granulosus NDR protein kinase 0.0686 0.0725 0.0725
Echinococcus multilocularis protein kinase c epsilon type 0.1272 0.2174 0.2174
Onchocerca volvulus Ubiquitin thioesterase ZRANB1 homolog 0.0496 0.0254 0.0113
Toxoplasma gondii AGC kinase 0.0686 0.0725 0.2215
Echinococcus multilocularis protein kinase c iota type 0.1172 0.1925 0.1925
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0686 0.0725 0.0635
Echinococcus granulosus myotubularin protein 13 0.0485 0.0228 0.0228
Trichomonas vaginalis AGC family protein kinase 0.0686 0.0725 0.0205
Echinococcus multilocularis serine:threonine protein kinase 38 0.0686 0.0725 0.0725
Trichomonas vaginalis AGC family protein kinase 0.0686 0.0725 0.0205
Echinococcus granulosus Nuclear pore complex protein Nup153 0.0496 0.0254 0.0254
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0496 0.0254 0.0031
Echinococcus granulosus RNA directed DNA polymerase 0.3166 0.6855 0.6855
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.1393 0.2473 1
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0485 0.0228 0.0228
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0586 0.0478 0.0478
Trypanosoma cruzi hypothetical protein, conserved 0.0496 0.0254 0.5
Leishmania major hypothetical protein, conserved 0.0496 0.0254 0.5
Schistosoma mansoni hypothetical protein 0.1393 0.2473 0.2297
Echinococcus multilocularis Diacylglycerol kinase theta 0.0485 0.0228 0.0228
Onchocerca volvulus 0.1393 0.2473 1
Trichomonas vaginalis AGC family protein kinase 0.0686 0.0725 0.0205
Trichomonas vaginalis AGC family protein kinase 0.0686 0.0725 0.0205
Brugia malayi brahma associated protein 60 kDa 0.1393 0.2473 0.2767
Brugia malayi YY1-associated factor 2 0.0496 0.0254 0.0031
Loa Loa (eye worm) hypothetical protein 0.0496 0.0254 0.0033
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.3282 0.714 0.8832
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0496 0.0254 0.0031
Trichomonas vaginalis AGC family protein kinase 0.0686 0.0725 0.0205
Trichomonas vaginalis AGC family protein kinase 0.0686 0.0725 0.0205
Echinococcus granulosus protein kinase C gamma type 0.3953 0.88 0.88
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.05 0.0265 0.0045
Echinococcus multilocularis serine:threonine protein kinase N2 0.0686 0.0725 0.0725
Schistosoma mansoni brg-1 associated factor 0.1393 0.2473 0.2297
Echinococcus multilocularis Nuclear pore complex protein Nup153 0.0496 0.0254 0.0254
Brugia malayi Protein kinase domain containing protein 0.0686 0.0725 0.0613
Loa Loa (eye worm) hypothetical protein 0.3651 0.8054 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.1272 0.2174 0.2486
Trichomonas vaginalis AGC family protein kinase 0.0686 0.0725 0.0205
Echinococcus multilocularis SWI:SNF matrix associated 0.1393 0.2473 0.2473
Onchocerca volvulus 0.0496 0.0254 0.0113
Trichomonas vaginalis AGC family protein kinase 0.0686 0.0725 0.0205
Echinococcus multilocularis Rac GTPase activating protein 1 0.0485 0.0228 0.0228
Brugia malayi SWIB/MDM2 domain containing protein 0.1393 0.2473 0.2767
Schistosoma mansoni hypothetical protein 0.0496 0.0254 0.0026
Echinococcus granulosus Upstream activation factor subunit UAF30 0.1393 0.2473 0.2473
Echinococcus multilocularis myotubularin protein 13 0.0485 0.0228 0.0228
Echinococcus granulosus SWI:SNF matrix associated 0.1393 0.2473 0.2473
Trypanosoma cruzi hypothetical protein, conserved 0.0496 0.0254 0.5
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0686 0.0725 0.0725
Entamoeba histolytica protein kinase, putative 0.0686 0.0725 1
Brugia malayi Protein kinase domain containing protein 0.0686 0.0725 0.0613
Echinococcus granulosus ring and YY1 binding protein 0.0496 0.0254 0.0254
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0485 0.0228 0.0228
Loa Loa (eye worm) brahma associated protein 0.1393 0.2473 0.2868
Loa Loa (eye worm) hypothetical protein 0.0586 0.0478 0.0318
Echinococcus multilocularis tumor protein p63 0.0665 0.0673 0.0673
Echinococcus granulosus protein kinase c iota type 0.1172 0.1925 0.1925
Echinococcus multilocularis N chimaerin 0.0485 0.0228 0.0228
Trypanosoma cruzi Zn-finger in Ran binding protein and others, putative 0.0496 0.0254 0.5
Echinococcus granulosus protein kinase c epsilon type 0.1272 0.2174 0.2174
Schistosoma mansoni serine/threonine protein kinase 0.05 0.0265 0.0037
Echinococcus multilocularis Zinc finger, RanBP2 type 0.0496 0.0254 0.0254
Schistosoma mansoni atypical protein kinase C 0.1172 0.1925 0.1736
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.05 0.0265 0.0265
Echinococcus granulosus tumor protein p63 0.0665 0.0673 0.0673
Loa Loa (eye worm) hypothetical protein 0.0496 0.0254 0.0033
Brugia malayi Protein kinase domain containing protein 0.0686 0.0725 0.0613
Loa Loa (eye worm) hypothetical protein 0.0496 0.0254 0.0033
Echinococcus granulosus Zinc finger RanBP2 type 0.0496 0.0254 0.0254
Brugia malayi Protein kinase c protein 2 0.3767 0.834 1
Schistosoma mansoni unc-13 (munc13) 0.0586 0.0478 0.0255
Brugia malayi Zn-finger in Ran binding protein and others containing protein 0.0496 0.0254 0.0031
Echinococcus multilocularis SWI:SNF matrix associated 0.1393 0.2473 0.2473
Echinococcus multilocularis serine:threonine protein kinase N2 0.0686 0.0725 0.0725
Echinococcus granulosus Diacylglycerol kinase theta 0.0485 0.0228 0.0228
Onchocerca volvulus 0.0496 0.0254 0.0113
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0686 0.0725 0.0635
Plasmodium falciparum SWIB/MDM2 domain-containing protein 0.1393 0.2473 1
Echinococcus granulosus zinc finger protein Ran binding 0.0496 0.0254 0.0254
Trypanosoma cruzi WLM domain containing protein, putative 0.0496 0.0254 0.5
Trypanosoma cruzi WLM domain containing protein, putative 0.0496 0.0254 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0712 0.0788 0.0572
Schistosoma mansoni serine/threonine protein kinase 0.0686 0.0725 0.0509
Echinococcus granulosus serine:threonine protein kinase N2 0.0686 0.0725 0.0725
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.1393 0.2473 1
Echinococcus multilocularis protein kinase c eta type 0.0485 0.0228 0.0228
Echinococcus multilocularis ring and YY1 binding protein 0.0496 0.0254 0.0254
Echinococcus multilocularis serine threonine protein kinase 0.3953 0.88 0.88
Loa Loa (eye worm) SWIB/MDM2 domain-containing protein 0.1393 0.2473 0.2868
Trichomonas vaginalis AGC family protein kinase 0.0686 0.0725 0.0205
Loa Loa (eye worm) hypothetical protein 0.3166 0.6855 0.8467
Echinococcus granulosus raf serine:threonine protein kinase 0.0485 0.0228 0.0228
Leishmania major hypothetical protein, conserved 0.0496 0.0254 0.5
Entamoeba histolytica protein kinase, putative 0.0686 0.0725 1
Loa Loa (eye worm) AGC/PKN protein kinase 0.0686 0.0725 0.0635
Loa Loa (eye worm) AGC/NDR protein kinase 0.0686 0.0725 0.0635
Schistosoma mansoni serine/threonine protein kinase 0.05 0.0265 0.0037
Schistosoma mansoni protein kinase C 0.0586 0.0478 0.0255
Plasmodium vivax SWIB/MDM2 domain-containing protein, putative 0.1393 0.2473 0.5
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0496 0.0254 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0686 0.0725 0.0509
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.05 0.0265 0.0265
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0686 0.0725 0.0635
Onchocerca volvulus 0.0496 0.0254 0.0113
Loa Loa (eye worm) hypothetical protein 0.0496 0.0254 0.0033
Echinococcus granulosus Rac GTPase activating protein 1 0.0485 0.0228 0.0228
Brugia malayi brahma associated protein 60 kDa 0.1393 0.2473 0.2767
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0686 0.0725 0.0635
Loa Loa (eye worm) AGC/AKT protein kinase 0.0686 0.0725 0.0635
Schistosoma mansoni unc-13 (munc13) 0.0586 0.0478 0.0255
Echinococcus granulosus protein kinase c eta type 0.0485 0.0228 0.0228
Trypanosoma cruzi mitochondrial RNA binding complex 1 subunit, putative 0.0496 0.0254 0.5
Schistosoma mansoni hypothetical protein 0.1393 0.2473 0.2297
Loa Loa (eye worm) CAMK/PKD protein kinase 0.05 0.0265 0.0047
Schistosoma mansoni fusion 0.0496 0.0254 0.0026
Schistosoma mansoni TRABID protein (C64 family) 0.0496 0.0254 0.0026
Brugia malayi p70 ribosomal S6 kinase beta 0.0686 0.0725 0.0613
Chlamydia trachomatis SWIB complex protein 0.1393 0.2473 0.5
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0686 0.0725 0.0725
Brugia malayi protein kinase C3,putative 0.05 0.0265 0.0045
Schistosoma mansoni serine/threonine protein kinase 0.4438 1 1
Loa Loa (eye worm) hypothetical protein 0.0686 0.0725 0.0635
Chlamydia trachomatis DNA topoisomerase I 0.1393 0.2473 0.5
Echinococcus multilocularis Upstream activation factor subunit UAF30 0.1393 0.2473 0.2473
Brugia malayi protein kinase C II. 0.1272 0.2174 0.2399
Loa Loa (eye worm) hypothetical protein 0.0496 0.0254 0.0033
Brugia malayi Protein kinase domain containing protein 0.05 0.0265 0.0045
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.3166 0.6855 0.6855
Toxoplasma gondii Zn-finger in Ran binding protein and others domain-containing protein 0.0496 0.0254 0.0113
Echinococcus multilocularis raf serine:threonine protein kinase 0.0485 0.0228 0.0228
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0686 0.0725 0.0725
Brugia malayi C1-like domain containing protein 0.05 0.0265 0.0045
Schistosoma mansoni hypothetical protein 0.1393 0.2473 0.2297
Leishmania major hypothetical protein, conserved 0.0496 0.0254 0.5
Schistosoma mansoni RNA binding protein 0.0496 0.0254 0.0026
Trichomonas vaginalis AGC family protein kinase 0.0686 0.0725 0.0205
Leishmania major hypothetical protein, conserved 0.0496 0.0254 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0686 0.0725 0.0509
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0686 0.0725 0.0725
Echinococcus granulosus N chimaerin 0.0485 0.0228 0.0228
Schistosoma mansoni serine/threonine protein kinase 0.1272 0.2174 0.1991
Trypanosoma brucei rac serine-threonine kinase, putative 0.0686 0.0725 1
Trichomonas vaginalis conserved hypothetical protein 0.1393 0.2473 1
Echinococcus multilocularis RNA directed DNA polymerase 0.3166 0.6855 0.6855
Entamoeba histolytica protein kinase, putative 0.0686 0.0725 1
Schistosoma mansoni serine/threonine protein kinase 0.4438 1 1
Echinococcus multilocularis zinc finger protein Ran binding 0.0496 0.0254 0.0254
Echinococcus multilocularis unc 13 (munc13) 0.0586 0.0478 0.0478
Leishmania major hypothetical protein, conserved 0.0496 0.0254 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0496 0.0254 0.5
Echinococcus multilocularis Protein kinase C, brain isozyme 0.4438 1 1
Echinococcus granulosus unc 13 munc13 0.0586 0.0478 0.0478
Trypanosoma cruzi Zn-finger in Ran binding protein and others/FYVE zinc finger, putative 0.0496 0.0254 0.5

Activities

No activities found for this compound.

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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