Detailed information for compound 1055832

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 352.425 | Formula: C25H20O2
  • H donors: 0 H acceptors: 2 LogP: 6.07 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CC(=O)c1ccccc1)/C=C(/c1ccccc1)\C=C\c1ccccc1
  • InChi: 1S/C25H20O2/c26-24(19-25(27)22-14-8-3-9-15-22)18-23(21-12-6-2-7-13-21)17-16-20-10-4-1-5-11-20/h1-18H,19H2/b17-16+,23-18+
  • InChiKey: CIHNUILUZTVQRS-PNUIMDNNSA-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
Trichomonas vaginalis chromobox protein, putative 0.0069 0.4309 1
Brugia malayi Heterochromatin protein 1 0.0069 0.4309 0.4309
Trichomonas vaginalis chromobox protein, putative 0.0069 0.4309 1
Trichomonas vaginalis chromobox protein, putative 0.0042 0.1924 0.4264
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.3537 1
Schistosoma mansoni tar DNA-binding protein 0.0135 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1668 0.3648
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.3537 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.3537 0.3537
Schistosoma mansoni tar DNA-binding protein 0.0135 1 1
Echinococcus granulosus chromobox protein 1 0.0069 0.4309 0.4309
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.003 0.094 0.094
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.3537 0.3537
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0151 0.5
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0151 0.0151
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0151 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.3537 0.3537
Schistosoma mansoni lipoxygenase 0.0082 0.5411 0.5411
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0117 0.8472 0.8472
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1668 0.3648
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0684 0.1283
Brugia malayi chromobox protein homolog 3 0.0039 0.1668 0.1668
Echinococcus multilocularis chromobox protein 1 0.0069 0.4309 0.4309
Loa Loa (eye worm) TAR-binding protein 0.0135 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0135 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0151 0.0151
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.1924 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0151 0.5
Schistosoma mansoni chromobox protein 0.0069 0.4309 0.4309
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0151 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0151 1
Echinococcus granulosus tar DNA binding protein 0.0135 1 1
Trichomonas vaginalis chromobox protein, putative 0.0042 0.1924 0.4264
Echinococcus multilocularis tar DNA binding protein 0.0135 1 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.3537 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.1668 0.1668
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.3537 0.3537
Schistosoma mansoni tar DNA-binding protein 0.0135 1 1
Echinococcus multilocularis chromobox protein 1 0.0069 0.4309 0.4309
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.4309 0.4309
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.1668 0.867
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0151 0.5
Echinococcus granulosus chromobox protein 1 0.0069 0.4309 0.4309
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0151 0.5
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0151 0.0151
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.3537 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0135 1 1
Onchocerca volvulus 0.003 0.094 0.4887
Loa Loa (eye worm) RNA binding protein 0.0135 1 1
Schistosoma mansoni tar DNA-binding protein 0.0135 1 1
Schistosoma mansoni ap endonuclease 0.0021 0.0151 0.0151
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0151 0.5
Schistosoma mansoni tar DNA-binding protein 0.0135 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0117 0.8472 0.8472
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0151 0.5
Schistosoma mansoni lipoxygenase 0.0117 0.8472 0.8472
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.3537 1
Brugia malayi TAR-binding protein 0.0135 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0684 0.1283
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.3537 1
Schistosoma mansoni ap endonuclease 0.0021 0.0151 0.0151
Schistosoma mansoni chromobox protein 0.0069 0.4309 0.4309

Activities

Activity type Activity value Assay description Source Reference
GI (functional) = 11 % Growth inhibition of HEL cells harboring Val617Phe mutation in JAK2 at 25 uM after 72 hrs by trypan blue exclusion assay ChEMBL. 19447617

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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