Detailed information for compound 560289

Basic information

Technical information
  • TDR Targets ID: 560289
  • Name: cercosporin
  • MW: 534.511 | Formula: C29H26O10
  • H donors: 4 H acceptors: 6 LogP: 4.05 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1c(O)c2C(=O)C=C3c4c2c(c1C[C@H](O)C)c1c(C[C@H](O)C)c(OC)c(c2c1c4C(=CC2=O)OCO3)O
  • InChi: 1S/C29H26O10/c1-10(30)5-12-18-19-13(6-11(2)31)29(37-4)27(35)21-15(33)8-17-23(25(19)21)22-16(38-9-39-17)7-14(32)20(24(18)22)26(34)28(12)36-3/h7-8,10-11,30-31,34-35H,5-6,9H2,1-4H3/t10-,11-/m1/s1
  • InChiKey: MXLWQNCWIIZUQT-GHMZBOCLSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • NSC 153111
  • Perylo(1,12-def)-1,3-dioxepin-5,11-dione, 6,12-dihydroxy-8,9-bis(2-hydroxypropyl)-7,10-dimethoxy-, stereoisomer (VAN)

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 expressed conserved protein 0.0092 0.058 0.0542
Echinococcus multilocularis Niemann Pick C1 protein 0.0139 0.1213 0.1213
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.032 0.3607 1
Loa Loa (eye worm) TAR-binding protein 0.0337 0.3834 1
Echinococcus multilocularis tar DNA binding protein 0.0337 0.3834 0.3834
Echinococcus granulosus Niemann Pick C1 protein 0.0139 0.1213 0.238
Schistosoma mansoni tar DNA-binding protein 0.0337 0.3834 1
Echinococcus granulosus tumor protein p63 0.0335 0.3798 0.9895
Schistosoma mansoni hypothetical protein 0.0333 0.3771 0.9833
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0078 0.0394 0.0394
Echinococcus granulosus tar DNA binding protein 0.0337 0.3834 1
Brugia malayi hypothetical protein 0.0165 0.1556 0.4042
Brugia malayi TAR-binding protein 0.0337 0.3834 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0152 0.1374 0.3643
Brugia malayi hypothetical protein 0.0078 0.0394 0.1003
Brugia malayi Niemann-Pick C1 protein precursor 0.0098 0.0659 0.1696
Loa Loa (eye worm) hypothetical protein 0.0098 0.0659 0.1696
Echinococcus multilocularis expressed conserved protein 0.0092 0.058 0.058
Schistosoma mansoni tar DNA-binding protein 0.0337 0.3834 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0099 0.0679 0.1735
Loa Loa (eye worm) hypothetical protein 0.0165 0.1556 0.4042
Mycobacterium ulcerans hypothetical protein 0.0169 0.1601 0.5
Trypanosoma brucei mitochondrial DNA polymerase beta 0.032 0.3607 1
Schistosoma mansoni tar DNA-binding protein 0.0337 0.3834 1
Brugia malayi RNA recognition motif domain containing protein 0.0337 0.3834 1
Schistosoma mansoni tar DNA-binding protein 0.0337 0.3834 1
Schistosoma mansoni hypothetical protein 0.0333 0.3771 0.9833
Brugia malayi RNA binding protein 0.0337 0.3834 1
Loa Loa (eye worm) hypothetical protein 0.0051 0.0046 0.0095
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0098 0.0659 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.0016 0.0016
Echinococcus granulosus geminin 0.0333 0.3771 0.9815
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0337 0.3834 1
Schistosoma mansoni hypothetical protein 0.0078 0.0394 0.0989
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.032 0.3607 1
Echinococcus multilocularis Niemann Pick C1 protein 0.0098 0.0659 0.0659
Echinococcus multilocularis geminin 0.0333 0.3771 0.3771
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.2384 1
Toxoplasma gondii hypothetical protein 0.0052 0.0051 0.5
Leishmania major mitochondrial DNA polymerase beta 0.032 0.3607 1
Schistosoma mansoni tar DNA-binding protein 0.0337 0.3834 1
Echinococcus granulosus Niemann Pick C1 protein 0.0098 0.0659 0.077
Echinococcus multilocularis tumor protein p63 0.0335 0.3798 0.3798
Onchocerca volvulus 0.0165 0.1556 1
Schistosoma mansoni transcription factor LCR-F1 0.0078 0.0394 0.0989
Loa Loa (eye worm) RNA binding protein 0.0337 0.3834 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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