Detailed information for compound 508232

Basic information

Technical information
  • TDR Targets ID: 508232
  • Name: (4-hydroxyphenyl)-(9H-pyrido[3,4-b]indol-1-yl )methanone
  • MW: 288.3 | Formula: C18H12N2O2
  • H donors: 2 H acceptors: 3 LogP: 3.64 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)C(=O)c1nccc2c1[nH]c1c2cccc1
  • InChi: 1S/C18H12N2O2/c21-12-7-5-11(6-8-12)18(22)17-16-14(9-10-19-17)13-3-1-2-4-15(13)20-16/h1-10,20-21H
  • InChiKey: DISBVDLVVUJENS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 9H-$b-carbolin-1-yl-(4-hydroxyphenyl)methanone

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 0.006 1 1
Echinococcus multilocularis lamin dm0 0.0027 0.2753 0.5
Echinococcus granulosus lamin 0.0027 0.2753 0.5
Echinococcus granulosus intermediate filament protein 0.0027 0.2753 0.5
Brugia malayi Fibroblast growth factor family protein 0.006 1 1
Schistosoma mansoni intermediate filament proteins 0.0027 0.2753 0.5
Onchocerca volvulus 0.0027 0.2753 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.2753 0.2753
Echinococcus multilocularis lamin 0.0027 0.2753 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.2753 0.2753
Onchocerca volvulus 0.0027 0.2753 0.5
Giardia lamblia Hypothetical protein 0.006 1 0.5
Brugia malayi intermediate filament protein 0.0027 0.2753 0.2753
Loa Loa (eye worm) hypothetical protein 0.006 1 1
Schistosoma mansoni lamin 0.0027 0.2753 0.5
Loa Loa (eye worm) intermediate filament protein 0.0027 0.2753 0.2753
Loa Loa (eye worm) hypothetical protein 0.0026 0.2644 0.2644
Echinococcus multilocularis musashi 0.0027 0.2753 0.5
Echinococcus granulosus lamin dm0 0.0027 0.2753 0.5
Schistosoma mansoni lamin 0.0027 0.2753 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.2753 0.2753

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 48.2 uM Inhibition of Candida albicans recombinant ICL assessed as formation of glyoxylate phenylhydrazone by spectrophotometry ChEMBL. 22652254
IC50 (binding) > 346.9 uM Inhibition of Staphylococcus aureus ATCC 6538p recombinant SrtA ChEMBL. 22652254
LC50 (functional) = 59 uM Cytotoxicity against human A549 cells by MTT assay ChEMBL. 22652254
MIC (functional) = 50 ug ml-1 Antibacterial activity against Staphylococcus epidermidis ATCC12228 after 24 hrs by 2-fold microtiter broth dilution method ChEMBL. 18247569
MIC (functional) = 50 ug ml-1 Antifungal activity against Candida albicans ATCC 10231 after 48 to 72 hrs ChEMBL. 22652254
MIC (functional) > 100 ug ml-1 Antibacterial activity against Escherichia coli ATCC 35270 after 24 hrs ChEMBL. 22652254

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

2 literature references were collected for this gene.

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