Detailed information for compound 1514971

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 436.454 | Formula: C25H24O7
  • H donors: 3 H acceptors: 4 LogP: 4.95 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=CC[C@@]12Oc3c(C(=O)[C@@]2(O)Oc2c1ccc(c2)O)c(O)cc1c3C[C@@H](O1)C(=C)C)C
  • InChi: 1S/C25H24O7/c1-12(2)7-8-24-16-6-5-14(26)9-20(16)31-25(24,29)23(28)21-17(27)11-19-15(22(21)32-24)10-18(30-19)13(3)4/h5-7,9,11,18,26-27,29H,3,8,10H2,1-2,4H3/t18-,24-,25-/m1/s1
  • InChiKey: HUMOTOGWFSSVMP-ZYKLXPEUSA-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
Trypanosoma cruzi DNA topoisomerase II, putative 0.0145 0.0977 0.1791
Plasmodium falciparum DNA topoisomerase 2 0.0208 0.1747 0.1747
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0142 0.0944 0.1731
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0516 0.5455 1
Plasmodium vivax DNA topoisomerase II, putative 0.0208 0.1747 0.1747
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0208 0.1747 1
Brugia malayi Cytochrome P450 family protein 0.0116 0.0625 0.358
Toxoplasma gondii DNA topoisomerase 2, putative 0.0208 0.1747 0.3202
Chlamydia trachomatis DNA gyrase subunit B 0.0585 0.6292 0.6292
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0145 0.0977 0.1791
Mycobacterium ulcerans hypothetical protein 0.0158 0.1138 0.1138
Trypanosoma brucei mitochondrial DNA polymerase beta 0.03 0.2852 0.5229
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0208 0.1747 1
Trichomonas vaginalis DNA topoisomerase II, putative 0.0208 0.1747 1
Trypanosoma cruzi DNA topoisomerase II, putative 0.0145 0.0977 0.1791
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0516 0.5455 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0977 0.5592
Entamoeba histolytica DNA topoisomerase II, putative 0.0208 0.1747 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0944 0.1731
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0187 0.1484 0.8497
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0208 0.1747 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.2852 0.5229
Loa Loa (eye worm) TOPoisomerase family member 0.0208 0.1747 1
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0516 0.5455 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.03 0.2852 0.5229
Leishmania major mitochondrial DNA topoisomerase II 0.0516 0.5455 1
Trypanosoma brucei DNA topoisomerase ii 0.0516 0.5455 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0145 0.0977 0.1791
Leishmania major DNA topoisomerase ii 0.0145 0.0977 0.1791
Schistosoma mansoni hypothetical protein 0.0288 0.2708 1
Brugia malayi Probable DNA topoisomerase II 0.0208 0.1747 1
Schistosoma mansoni DNA topoisomerase II 0.0208 0.1747 0.6452
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0208 0.1747 1
Loa Loa (eye worm) hypothetical protein 0.0145 0.0977 0.5592
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0307 0.2938 1
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0208 0.1747 1
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0208 0.1747 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0116 0.0625 0.358
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0187 0.1484 0.8497
Leishmania major mitochondrial DNA polymerase beta 0.03 0.2852 0.5229
Giardia lamblia DNA topoisomerase II 0.018 0.1409 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0208 0.1747 1
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0142 0.0944 0.1731

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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