Detailed information for compound 1489358

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 346.374 | Formula: C19H22O6
  • H donors: 1 H acceptors: 4 LogP: 1.05 Rotable bonds: 0
    Rule of 5 violations (Lipinski): 1
  • SMILES: C[C@@H]1CCC(=O)C2=C3[C@@]4([C@H](/C=C/C1=O)[C@@H](O)[C@](O3)(C)[C@@H](C4)C)OC2=O
  • InChi: 1S/C19H22O6/c1-9-4-6-13(21)14-16-19(25-17(14)23)8-10(2)18(3,24-16)15(22)11(19)5-7-12(9)20/h5,7,9-11,15,22H,4,6,8H2,1-3H3/b7-5+/t9-,10-,11-,15-,18+,19-/m1/s1
  • InChiKey: HCCZDBLWIXYZAQ-DPOPRUJFSA-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 granulosus Dipeptidyl peptidase 9 0.0315 0.2101 0.2101
Schistosoma mansoni bhlhzip transcription factor bigmax 0.0296 0.1838 0.1838
Echinococcus granulosus inhibitor of apoptosis protein 0.0566 0.5514 0.5514
Trypanosoma cruzi hypothetical protein, conserved 0.0405 0.3316 0.1538
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0896 1 1
Loa Loa (eye worm) hypothetical protein 0.0569 0.5547 0.5547
Toxoplasma gondii kringle domain-containing protein 0.0405 0.3316 0.2361
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0896 1 0.5
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0896 1 1
Loa Loa (eye worm) TK/ROR protein kinase 0.0446 0.3878 0.3878
Onchocerca volvulus 0.0569 0.5547 0.5547
Echinococcus multilocularis inhibitor of apoptosis protein 0.0566 0.5514 0.5514
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0622 0.627 0.627
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0566 0.5514 0.5514
Brugia malayi prolyl oligopeptidase family protein 0.0315 0.2101 0.2101
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0896 1 1
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0566 0.5514 0.5514
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0296 0.1838 0.1838
Plasmodium vivax RNA helicase-1, putative 0.0896 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0896 1 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0569 0.5547 0.5547
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0896 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0569 0.5547 0.5547
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0896 1 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0315 0.2101 0.2101
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0896 1 1
Brugia malayi Kringle domain containing protein 0.0405 0.3316 0.3316
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0296 0.1838 0.1838
Brugia malayi hypothetical protein 0.0193 0.044 0.044
Loa Loa (eye worm) hypothetical protein 0.0566 0.5514 0.5514
Onchocerca volvulus 0.0473 0.4241 0.4241
Loa Loa (eye worm) prolyl oligopeptidase 0.0622 0.627 0.627
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0622 0.627 0.627
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0566 0.5514 0.5514
Echinococcus multilocularis max protein X 0.0296 0.1838 0.1838
Loa Loa (eye worm) hypothetical protein 0.0193 0.044 0.044
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0622 0.627 0.627
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0896 1 1
Onchocerca volvulus 0.0566 0.5514 0.5514
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0896 1 0.5
Echinococcus granulosus max protein X 0.0296 0.1838 0.1838
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0896 1 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0896 1 1
Echinococcus granulosus tissue type plasminogen activator 0.0405 0.3316 0.3316
Leishmania major hypothetical protein, conserved 0.0405 0.3316 0.1538
Schistosoma mansoni hypothetical protein 0.0405 0.3316 0.3316
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0315 0.2101 0.2101
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0566 0.5514 0.5514
Brugia malayi prolyl oligopeptidase family protein 0.0622 0.627 0.627
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0566 0.5514 0.5514
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0896 1 0.5
Loa Loa (eye worm) hypothetical protein 0.0566 0.5514 0.5514
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0896 1 1
Leishmania major eukaryotic initiation factor 4a, putative 0.0896 1 1
Echinococcus granulosus eukaryotic initiation factor 4A 0.0896 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0896 1 0.5
Schistosoma mansoni inhibitor of apoptosis protein 0.0566 0.5514 0.5514
Brugia malayi Protein kinase domain containing protein 0.0446 0.3878 0.3878
Echinococcus multilocularis tissue type plasminogen activator 0.0405 0.3316 0.3316
Treponema pallidum ATP-dependent RNA helicase 0.0896 1 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0896 1 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0569 0.5547 0.5547
Plasmodium falciparum eukaryotic initiation factor 4A 0.0896 1 1
Onchocerca volvulus Deterin homolog 0.0566 0.5514 0.5514
Schistosoma mansoni bhlhzip transcription factor bigmax 0.0296 0.1838 0.1838
Loa Loa (eye worm) hypothetical protein 0.0405 0.3316 0.3316
Loa Loa (eye worm) hypothetical protein 0.0896 1 1
Onchocerca volvulus 0.0405 0.3316 0.3316
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0622 0.627 0.627
Schistosoma mansoni hypothetical protein 0.0566 0.5514 0.5514
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0896 1 1
Brugia malayi Trypsin family protein 0.0569 0.5547 0.5547

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antimicrobial activity against Escherichia coli NIH-JC2 at 100 uM after 20 hrs ChEMBL. 21028891
Activity (functional) Antimicrobial activity against Candida albicans IFO1594 at 100 uM after 20 hrs ChEMBL. 21028891

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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