Detailed information for compound 1528230

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 383.456 | Formula: C23H26FNO3
  • H donors: 0 H acceptors: 1 LogP: 4.41 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: FCCOCCOc1ccc(cc1)/C=C/C(=O)/C=C/c1ccc(cc1)N(C)C
  • InChi: 1S/C23H26FNO3/c1-25(2)21-9-3-19(4-10-21)5-11-22(26)12-6-20-7-13-23(14-8-20)28-18-17-27-16-15-24/h3-14H,15-18H2,1-2H3/b11-5+,12-6+
  • InChiKey: FXHMYNASLVDCPX-YDWXAUTNSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 granulosus serine:threonine protein kinase PLK1 0.01 0.523 1
Trichomonas vaginalis CAMK family protein kinase 0.01 0.523 0.4763
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0099 0.5128 0.9611
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.0108 0.5827 0.1547
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0156 0.9647 1
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.523 0.0225
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.01 0.523 0.3545
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0156 0.9647 1
Brugia malayi MH2 domain containing protein 0.0127 0.7329 0.6385
Echinococcus granulosus caspase 3 0.0072 0.3008 0.152
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.9647 1
Plasmodium falciparum lysophospholipase, putative 0.0156 0.9647 1
Schistosoma mansoni caspase-7 (C14 family) 0.0099 0.51 0.9668
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0099 0.5128 0.3761
Trypanosoma cruzi polo-like protein kinase, putative 0.01 0.523 0.0225
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0099 0.51 0.9505
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0108 0.5827 0.5471
Trichomonas vaginalis CAMK family protein kinase 0.01 0.523 0.4763
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0156 0.9647 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.261 0.3302
Schistosoma mansoni tar DNA-binding protein 0.0067 0.261 0.3302
Schistosoma mansoni serine/threonine protein kinase 0.01 0.523 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0099 0.5128 0.3407
Echinococcus multilocularis caspase 3 0.0072 0.3008 0.152
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.9647 1
Brugia malayi serine/threonine-protein kinase plk-2 0.01 0.523 0.3545
Schistosoma mansoni tar DNA-binding protein 0.0067 0.261 0.3302
Schistosoma mansoni tar DNA-binding protein 0.0067 0.261 0.3302
Trichomonas vaginalis CAMK family protein kinase 0.01 0.523 0.4763
Trypanosoma brucei monoglyceride lipase, putative 0.0156 0.9647 1
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0099 0.5128 0.5
Plasmodium vivax PST-A protein 0.0156 0.9647 1
Leishmania major monoglyceride lipase, putative 0.0156 0.9647 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0156 0.9647 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.01 0.523 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.0108 0.5827 0.5471
Plasmodium falciparum lysophospholipase, putative 0.0156 0.9647 1
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.0108 0.5827 1
Onchocerca volvulus 0.016 1 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.261 0.3302
Schistosoma mansoni caspase-3 (C14 family) 0.0099 0.51 0.9668
Loa Loa (eye worm) transcription factor SMAD2 0.0127 0.7329 0.6385
Plasmodium falciparum lysophospholipase, putative 0.0156 0.9647 1
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0099 0.5128 0.974
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0156 0.9647 1
Trichomonas vaginalis CAMK family protein kinase 0.01 0.523 0.4763
Loa Loa (eye worm) MH2 domain-containing protein 0.0127 0.7329 0.6385
Mycobacterium tuberculosis Possible lysophospholipase 0.0156 0.9647 1
Echinococcus granulosus caspase 0.0099 0.51 0.9505
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0099 0.5128 0.9611
Trypanosoma cruzi monoglyceride lipase, putative 0.0156 0.9647 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0099 0.51 0.9505
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0156 0.9647 1
Trichomonas vaginalis CAMK family protein kinase 0.01 0.523 0.4763
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.0156 0.9647 0.5
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0108 0.5827 0.5471
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0108 0.5827 1
Plasmodium falciparum esterase, putative 0.0156 0.9647 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0156 0.9647 1
Mycobacterium ulcerans hypothetical protein 0.0156 0.9647 1
Trypanosoma brucei polo-like protein kinase 0.01 0.523 0.0225
Trichomonas vaginalis CAMK family protein kinase 0.01 0.523 0.4763
Brugia malayi glucose-6-phosphate dehydrogenase 0.0099 0.5128 0.3407
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0099 0.5128 0.5
Trichomonas vaginalis CAMK family protein kinase 0.01 0.523 0.4763
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.01 0.523 0.0225
Trypanosoma brucei monoglyceride lipase, putative 0.0156 0.9647 1
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0156 0.9647 1
Loa Loa (eye worm) hypothetical protein 0.016 1 1
Mycobacterium ulcerans lysophospholipase 0.0156 0.9647 1
Echinococcus multilocularis caspase 0.0099 0.51 0.9505

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.