Detailed information for compound 1568885

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 248.319 | Formula: C18H16O
  • H donors: 0 H acceptors: 0 LogP: 4.3 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)/C=C/C=C/1\COc2c(C1)cccc2
  • InChi: 1S/C18H16O/c1-2-7-15(8-3-1)9-6-10-16-13-17-11-4-5-12-18(17)19-14-16/h1-12H,13-14H2/b9-6+,16-10-
  • InChiKey: IETRAIQBAOPIHD-RKQKHZQPSA-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 cytochrome P450 reductase, putative 0.0105 0.2914 0.5
Plasmodium vivax S-adenosylmethionine decarboxylase-ornithine decarboxylase, putative 0.0122 0.3743 1
Plasmodium falciparum S-adenosylmethionine decarboxylase/ornithine decarboxylase 0.0122 0.3743 1
Trypanosoma cruzi p450 reductase, putative 0.0105 0.2914 0.5
Entamoeba histolytica ornithine decarboxylase, putative 0.0122 0.3743 0.5
Echinococcus granulosus arachidonate 5 lipoxygenase 0.012 0.3665 1
Trypanosoma brucei ornithine decarboxylase 0.0122 0.3743 1
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0105 0.2914 0.7283
Giardia lamblia Ornithine decarboxylase 0.0122 0.3743 1
Mycobacterium leprae PROBABLE DIAMINOPIMELATE DECARBOXYLASE LYSA (DAP DECARBOXYLASE) 0.0047 0 0.5
Mycobacterium ulcerans diaminopimelate decarboxylase LysA 0.0122 0.3743 1
Trichomonas vaginalis sulfite reductase, putative 0.0105 0.2914 0.7786
Schistosoma mansoni cytochrome P450 reductase 0.0105 0.2914 0.7793
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0105 0.2914 0.7283
Chlamydia trachomatis sulfite reductase 0.0065 0.09 0.5
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0105 0.2914 0.7283
Trichomonas vaginalis ornithine decarboxylase, putative 0.0122 0.3743 1
Toxoplasma gondii diaminopimelate decarboxylase 0.0122 0.3743 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0247 1 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.012 0.3665 1
Loa Loa (eye worm) pyridoxal-dependent decarboxylase 0.0122 0.3743 0.3124
Loa Loa (eye worm) hypothetical protein 0.0105 0.2914 0.2213
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0105 0.2914 0.5
Loa Loa (eye worm) FAD binding domain-containing protein 0.0105 0.2914 0.2213
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0105 0.2914 0.4194
Trichomonas vaginalis ornithine decarboxylase, putative 0.0122 0.3743 1
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0122 0.3743 1
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0105 0.2914 0.5
Onchocerca volvulus 0.0122 0.3743 0.5
Leishmania major ornithine decarboxylase, putative 0.0122 0.3743 1
Leishmania major p450 reductase, putative 0.0105 0.2914 0.4194
Trichomonas vaginalis diaminopimelate decarboxylase, putative 0.0122 0.3743 1
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0105 0.2914 0.4194
Brugia malayi flavodoxin family protein 0.0105 0.2914 0.2213
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0105 0.2914 0.7283
Mycobacterium tuberculosis Diaminopimelate decarboxylase LysA (DAP decarboxylase) 0.0122 0.3743 0.5
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0065 0.09 0.1876
Trichomonas vaginalis pyridoxal-dependent decarboxylase, putative 0.0122 0.3743 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0053 0.0301 0.0118
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0093 0.2315 0.6186
Brugia malayi FAD binding domain containing protein 0.0105 0.2914 0.2213
Brugia malayi Pyridoxal-dependent decarboxylase, pyridoxal binding domain containing protein 0.0122 0.3743 0.3124
Schistosoma mansoni lipoxygenase 0.012 0.3665 1
Loa Loa (eye worm) transcription factor SMAD2 0.0247 1 1
Schistosoma mansoni lipoxygenase 0.0084 0.1855 0.4681

Activities

Activity type Activity value Assay description Source Reference
MNCC (ADMET) = 50 uM Cytotoxicity against human HeLa cells after 3 days by microscopic analysis ChEMBL. 22088306
TC50 (ADMET) = 100 uM Cytotoxicity against human HeLa cells after 3 days by XTT based ELISA reader ChEMBL. 22088306

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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