Detailed information for compound 959224

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 394.502 | Formula: C22H34O6
  • H donors: 1 H acceptors: 2 LogP: 2.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: OO[C@@H]1CC[C@]2(C)OC[C@@H](C3[C@@H]4C2OC(CC1=C)[C@@H]4[C@H](OC(=O)C)[C@@H](C3)C)C
  • InChi: 1S/C22H34O6/c1-11-9-17-19-18-15(8-12(2)20(19)26-14(4)23)13(3)10-25-22(5,21(18)27-17)7-6-16(11)28-24/h12-13,15-21,24H,1,6-10H2,2-5H3/t12-,13+,15?,16-,17?,18+,19+,20-,21?,22+/m1/s1
  • InChiKey: NHDWDZVEJGRIDB-TZFAFBMESA-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
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.00360767 0.473735 0.473735
Leishmania major eukaryotic initiation factor 4a, putative 0.00182834 0 0.5
Onchocerca volvulus 0.00558431 1 1
Loa Loa (eye worm) hypothetical protein 0.00558431 1 1
Treponema pallidum ATP-dependent RNA helicase 0.00182834 0 0.5
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.00360767 0.473735 0.473735
Loa Loa (eye worm) agrin synaptic family protein 0.00360767 0.473735 0.473735
Loa Loa (eye worm) hypothetical protein 0.00558431 1 1
Brugia malayi sodium-independent organic anion transporter family protein 0.00558431 1 1
Loa Loa (eye worm) hypothetical protein 0.00558431 1 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.00182834 0 0.5
Leishmania major eukaryotic initiation factor 4a, putative 0.00182834 0 0.5
Loa Loa (eye worm) hypothetical protein 0.00360767 0.473735 0.473735
Plasmodium vivax RNA helicase-1, putative 0.00182834 0 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.00182834 0 0.5
Loa Loa (eye worm) hypothetical protein 0.00558431 1 1
Echinococcus multilocularis follistatin 0.00360767 0.473735 0.473735
Brugia malayi hypothetical protein 0.00558431 1 1
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.00182834 0 0.5
Onchocerca volvulus 0.00558431 1 1
Onchocerca volvulus 0.00558431 1 1
Onchocerca volvulus Putative organic anion transporter 0.00558431 1 1
Toxoplasma gondii protease inhibitor PI2 0.00360767 0.473735 0.473735
Echinococcus multilocularis expressed protein 0.00360767 0.473735 0.473735
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.00360767 0.473735 0.473735
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.00182834 0 0.5
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.00182834 0 0.5
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.00360767 0.473735 0.473735
Trypanosoma cruzi MFS transporter, putative 0.00558431 1 1
Onchocerca volvulus Putative organic anion transporter 0.00558431 1 1
Echinococcus granulosus Solute carrier organic anion transporter family 0.00558431 1 1
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.00360767 0.473735 0.473735
Echinococcus granulosus organic anion transporting polypeptide 30B 0.00558431 1 1
Onchocerca volvulus Putative organic anion transporter 0.00558431 1 1
Brugia malayi sodium-independent organic anion transporter family protein 0.00558431 1 1
Echinococcus multilocularis agrin 0.00360767 0.473735 0.473735
Brugia malayi sodium-independent organic anion transporter family protein 0.00558431 1 1
Schistosoma mansoni follistatin 0.00360767 0.473735 0.473735
Loa Loa (eye worm) hypothetical protein 0.00360767 0.473735 0.473735
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.00360767 0.473735 0.473735
Brugia malayi secreted modular calcium-binding protein 1 0.00360767 0.473735 0.473735
Onchocerca volvulus 0.00558431 1 1
Loa Loa (eye worm) hypothetical protein 0.00558431 1 1
Echinococcus multilocularis Solute carrier organic anion transporter family 0.00558431 1 1
Echinococcus granulosus agrin 0.00360767 0.473735 0.473735
Schistosoma mansoni agrin 0.00360767 0.473735 0.473735
Echinococcus granulosus follistatin 0.00360767 0.473735 0.473735
Schistosoma mansoni organic anion transporter 0.00558431 1 1
Loa Loa (eye worm) sodium-independent organic anion transporter 0.00558431 1 1
Onchocerca volvulus 0.00558431 1 1
Brugia malayi prostaglandin transporter 0.00558431 1 1
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.00182834 0 0.5
Toxoplasma gondii transporter, major facilitator family protein 0.00558431 1 1
Schistosoma mansoni organic anion transporter 0.00558431 1 1
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.00360767 0.473735 0.473735
Loa Loa (eye worm) hypothetical protein 0.00558431 1 1
Loa Loa (eye worm) hypothetical protein 0.00360767 0.473735 0.473735
Plasmodium falciparum eukaryotic initiation factor 4A 0.00182834 0 0.5
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.00360767 0.473735 0.473735
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.00558431 1 1
Brugia malayi hypothetical protein 0.00558431 1 1
Onchocerca volvulus 0.00360767 0.473735 0.473735
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.00360767 0.473735 0.473735
Brugia malayi SPARC precursor 0.00360767 0.473735 0.473735
Loa Loa (eye worm) hypothetical protein 0.00558431 1 1
Loa Loa (eye worm) hypothetical protein 0.00360767 0.473735 0.473735
Giardia lamblia Translation initiation factor eIF-4A, putative 0.00182834 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) Antituberculosis activity against Mycobacterium tuberculosis H37Rv at 128 ug/mL ChEMBL. 17190449
IC50 (functional) = 13 ug ml-1 Antiplasmodial activity against chloroquine-resistant Plasmodium falciparum W2 ChEMBL. 17190449

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23 17190449

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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