Detailed information for compound 1664086

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 372.498 | Formula: C23H32O4
  • H donors: 1 H acceptors: 2 LogP: 3.18 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: O[C@H]1CC[C@]2([C@@H](C1)CC[C@@H]1[C@@H]2CC[C@]2([C@]31O[C@@H]3C[C@@H]2C1=CC(=O)OC1)C)C
  • InChi: 1S/C23H32O4/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)18(11-19-23(17,22)27-19)13-9-20(25)26-12-13/h9,14-19,24H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18-,19-,21+,22-,23-/m1/s1
  • InChiKey: QONQRTHLHBTMGP-PXMGSVGHSA-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
Loa Loa (eye worm) hypothetical protein 0.0083 0.027 0.0767
Onchocerca volvulus Peroxidasin homolog 0.0222 0.3525 1
Schistosoma mansoni peroxidasin 0.0222 0.3525 0.3525
Onchocerca volvulus 0.0222 0.3525 1
Plasmodium falciparum LCCL domain-containing protein 0.0083 0.027 0.5
Onchocerca volvulus 0.0222 0.3525 1
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Echinococcus multilocularis RUN 0.0083 0.027 0.027
Onchocerca volvulus Peroxidasin homolog 0.0222 0.3525 1
Brugia malayi Peroxidasin 0.0222 0.3525 1
Plasmodium vivax multidomain scavenger receptor, putative 0.0083 0.027 0.5
Schistosoma mansoni loxhd1 0.0083 0.027 0.027
Entamoeba histolytica phospholipase D, putative 0.012 0.1135 1
Schistosoma mansoni rab6-interacting 0.0083 0.027 0.027
Schistosoma mansoni lipoxygenase 0.0348 0.6485 0.6485
Onchocerca volvulus Chorion peroxidase homolog 0.0222 0.3525 1
Echinococcus multilocularis peroxidasin 0.0222 0.3525 0.3525
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Onchocerca volvulus 0.0222 0.3525 1
Loa Loa (eye worm) hypothetical protein 0.0083 0.027 0.0767
Echinococcus multilocularis phospholipase D1 0.012 0.1135 0.1135
Entamoeba histolytica phospholipase D, putative 0.012 0.1135 1
Loa Loa (eye worm) animal heme peroxidase 0.0222 0.3525 1
Echinococcus granulosus phospholipase D 0.0106 0.0806 0.0806
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Brugia malayi Animal haem peroxidase family protein 0.0222 0.3525 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0083 0.027 0.027
Onchocerca volvulus Dual oxidase homolog 0.0222 0.3525 1
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Loa Loa (eye worm) animal heme peroxidase 0.0222 0.3525 1
Schistosoma mansoni peroxidasin 0.0222 0.3525 0.3525
Brugia malayi Animal haem peroxidase family protein 0.0222 0.3525 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0083 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0101 0.0684 0.194
Echinococcus multilocularis lipoxygenase domain containing protein 0.0083 0.027 0.027
Brugia malayi Animal haem peroxidase family protein 0.0222 0.3525 1
Brugia malayi hypothetical protein 0.0083 0.027 0.0767
Onchocerca volvulus Peroxidase homolog 0.0222 0.3525 1
Schistosoma mansoni lipoxygenase 0.0498 1 1
Onchocerca volvulus 0.0083 0.027 0.0767
Loa Loa (eye worm) blistered cuticle protein 3 0.0222 0.3525 1
Echinococcus multilocularis Polycystic kidney disease protein 0.0083 0.027 0.027
Schistosoma mansoni hypothetical protein 0.0083 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0078 0.0152 0.0433
Echinococcus granulosus RUN 0.0083 0.027 0.027
Echinococcus multilocularis phospholipase D 0.0106 0.0806 0.0806
Toxoplasma gondii EGF family domain-containing protein 0.0072 0 0.5
Loa Loa (eye worm) doublecortin family protein 0.0083 0.027 0.0767
Loa Loa (eye worm) animal heme peroxidase 0.0222 0.3525 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0684 0.194
Brugia malayi Phospholipase d protein 1 0.012 0.1135 0.322
Schistosoma mansoni phospholipase D 0.012 0.1135 0.1135
Loa Loa (eye worm) animal heme peroxidase 0.0222 0.3525 1
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Brugia malayi Blistered cuticle protein 3 0.0222 0.3525 1
Schistosoma mansoni polycystin 1-related 0.0083 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Brugia malayi Animal haem peroxidase family protein 0.0222 0.3525 1
Brugia malayi Doublecortin family protein 0.0083 0.027 0.0767
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Brugia malayi hypothetical protein 0.0083 0.027 0.0767
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0498 1 1
Echinococcus granulosus phospholipase D1 0.012 0.1135 0.1135
Brugia malayi hypothetical protein 0.0222 0.3525 1
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0152 0.0433
Brugia malayi Animal haem peroxidase family protein 0.0222 0.3525 1
Onchocerca volvulus 0.0083 0.027 0.0767
Schistosoma mansoni rab6-interacting 0.0083 0.027 0.027
Echinococcus granulosus Polycystic kidney disease protein 0.0083 0.027 0.027
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Echinococcus multilocularis lipoxygenase domain containing protein 0.0083 0.027 0.027
Echinococcus granulosus peroxidasin 0.0222 0.3525 0.3525
Loa Loa (eye worm) hypothetical protein 0.0222 0.3525 1
Giardia lamblia High cysteine protein 0.0072 0 0.5
Onchocerca volvulus Peroxidase homolog 0.0222 0.3525 1

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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