Detailed information for compound 1659158

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 421.564 | Formula: C25H37F2NO2
  • H donors: 0 H acceptors: 1 LogP: 9.43 Rotable bonds: 18
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCCC/C=C\CCCCCCCCC(=O)O/N=C\c1ccc(c(c1)F)F
  • InChi: 1S/C25H37F2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25(29)30-28-21-22-18-19-23(26)24(27)20-22/h8-9,18-21H,2-7,10-17H2,1H3/b9-8-,28-21-
  • InChiKey: BUQQWANKKIFMIL-KTCQRCSYSA-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
Giardia lamblia Rrm3p helicase 0.0118 1 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF6 0.0118 1 0.5
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0118 1 0.5
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.2568 0.4159
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2568 0.2568
Schistosoma mansoni hypothetical protein 0.002 0.0104 0.0104
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.3939 0.3939
Loa Loa (eye worm) hypothetical protein 0.0041 0.2265 0.4395
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0118 1 0.5
Brugia malayi Bromodomain containing protein 0.0073 0.544 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.2568 0.2568
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.1605 0.1605
Trypanosoma cruzi DNA repair and recombination helicase protein PIF7, putative 0.0118 1 0.5
Entamoeba histolytica hypothetical protein, conserved 0.0118 1 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2568 0.2568
Entamoeba histolytica DNA repair and recombination protein, putative 0.0118 1 0.5
Trypanosoma brucei DNA repair and recombination helicase protein PIF7 0.0118 1 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.2568 0.2568
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.2568 0.5013
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0291 0.0291
Trypanosoma cruzi DNA repair and recombination helicase protein PIF6, putative 0.0118 1 0.5
Schistosoma mansoni bromodomain containing protein 0.0062 0.429 0.429
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0291 0.0291
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0291 0.0291
Echinococcus multilocularis ATP dependent DNA helicase PIF1 0.0118 1 1
Brugia malayi Bromodomain containing protein 0.0037 0.1838 0.2673
Trichomonas vaginalis conserved hypothetical protein 0.0118 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0069 0.502 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.1605 0.1605
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.3939 0.3939
Leishmania major PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative 0.0118 1 0.5
Loa Loa (eye worm) hypothetical protein 0.004 0.2077 0.4014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.2568 0.2568
Schistosoma mansoni hypothetical protein 0.0118 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.2568 0.2568
Loa Loa (eye worm) hypothetical protein 0.0037 0.1845 0.3541
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.2568 0.2568

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 16 % Percent inhibitory activity at 25 uM against human Lipoprotein-associated phospholiphase A2 ChEMBL. 15713421

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

1 literature reference was collected for this gene.

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