Detailed information for compound 515273

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 351.44 | Formula: C25H21NO
  • H donors: 0 H acceptors: 1 LogP: 5.32 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1C=C(c2c1cccc2)N(C1Cc2c(C1)cccc2)Cc1ccccc1
  • InChi: 1S/C25H21NO/c27-25-16-24(22-12-6-7-13-23(22)25)26(17-18-8-2-1-3-9-18)21-14-19-10-4-5-11-20(19)15-21/h1-13,16,21H,14-15,17H2
  • InChiKey: NSBJBQMDAFAXLS-UHFFFAOYSA-N  


Substructure search Similarity search

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
Echinococcus granulosus thioredoxin dependent peroxide reductase 0.0081 0.012 0.1642
Schistosoma mansoni thioredoxin peroxidase 3 0.0081 0.012 0.1799
Mycobacterium ulcerans N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB 0.2783 1 1
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.0734 1
Leishmania major N-acetyl-D-acetylglucosaminylphosphatidylinositol deacetylase 0.0092 0.016 1
Echinococcus multilocularis thioredoxin peroxidase 0.0081 0.012 0.1642
Loa Loa (eye worm) hypothetical protein 0.0249 0.0734 1
Brugia malayi thioredoxin peroxidase, identical 0.0081 0.012 0.1642
Mycobacterium tuberculosis N-acetyl-1-D-myo-inosityl-2-amino-2-deoxy-alpha-D-glucopyranoside deacetylase MshB (GlcNAc-Ins deacetylase) 0.2783 1 1
Trichomonas vaginalis alkyl hydroperoxide reductase, subunit C, putative 0.0081 0.012 0.717
Entamoeba histolytica glucosamine-6-phosphate isomerase, putative 0.0092 0.016 1
Echinococcus granulosus thioredoxin peroxidase 0.0081 0.012 0.1642
Toxoplasma gondii N-acetylglucosaminylphosphatidylinositol deacetylase 0.0092 0.016 1
Echinococcus multilocularis GA binding protein alpha chain 0.0076 0.0103 0.1399
Loa Loa (eye worm) phosphatidylinositol glycan anchor biosynthesis protein 0.0092 0.016 0.2179
Echinococcus granulosus Peroxiredoxin 2 0.0081 0.012 0.1642
Loa Loa (eye worm) thioredoxin peroxidase 0.0081 0.012 0.1642
Brugia malayi Fli-1 protein 0.0231 0.067 0.9129
Schistosoma mansoni thioredoxin peroxidase 0.0081 0.012 0.1799
Brugia malayi Uncharacterized LmbE-like protein, COG2120 containing protein 0.0092 0.016 0.2179
Schistosoma mansoni survival motor neuron protein 0.0051 0.001 0.0143
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0092 0.016 1
Brugia malayi thioredoxin peroxidase 1 0.0081 0.012 0.1642
Plasmodium vivax N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0092 0.016 1
Trypanosoma brucei N-acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase 0.0092 0.016 1
Echinococcus granulosus GA binding protein alpha chain 0.0076 0.0103 0.1399
Schistosoma mansoni gabp alpha 0.0076 0.0103 0.1532
Schistosoma mansoni thioredoxin peroxidase 0.0081 0.012 0.1799
Mycobacterium leprae Mycothiol conjugate amidase Mca (Mycothiol S-conjugate amidase) 0.0092 0.016 0.004
Echinococcus granulosus N acetylglucosaminyl phosphatidylinositol 0.0092 0.016 0.2179
Echinococcus multilocularis thioredoxin dependent peroxide reductase 0.0081 0.012 0.1642
Mycobacterium ulcerans mycothiol conjugate amidase Mca 0.0092 0.016 0.004
Loa Loa (eye worm) hypothetical protein 0.0065 0.0062 0.0848
Treponema pallidum alkyl hydroperoxide reductase (ahpC) 0.0081 0.012 0.5
Schistosoma mansoni ets-related 0.0231 0.067 1
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.0092 0.016 1
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.0734 1
Echinococcus multilocularis Peroxiredoxin 2 0.0081 0.012 0.1642
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.0076 0.0103 0.1399
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.001 0.0131
Entamoeba histolytica N-acetylglucosaminyl-phosphatidylinositol de-N-acetylase, putative 0.0092 0.016 1
Trypanosoma cruzi N-Acetyl-D-glucosaminylphosphatidylinositol de-N-acetylase, putative 0.0092 0.016 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0026 0.0355
Trichomonas vaginalis peroxiredoxins, prx-1, prx-2, prx-3, putative 0.0081 0.012 0.717
Brugia malayi hypothetical protein 0.0249 0.0734 1
Echinococcus multilocularis N acetylglucosaminyl phosphatidylinositol 0.0092 0.016 0.2179
Trichomonas vaginalis alkyl hydroperoxide reductase, subunit C, putative 0.0081 0.012 0.717
Mycobacterium tuberculosis Conserved hypothetical protein 0.0092 0.016 0.004
Schistosoma mansoni peroxiredoxins prx-1 prx-2 prx-3 0.0081 0.012 0.1799
Trichomonas vaginalis alkyl hydroperoxide reductase, subunit C, putative 0.0081 0.012 0.717
Trichomonas vaginalis peroxiredoxins, prx-1, prx-2, prx-3, putative 0.0081 0.012 0.717
Schistosoma mansoni N-acetylglucosaminyl-phosphatidylinositol de-n-acetylase 0.0092 0.016 0.2387
Brugia malayi Ets-domain containing protein 0.0076 0.0103 0.1399
Brugia malayi AhpC/TSA family protein 0.0081 0.012 0.1642
Schistosoma mansoni hypothetical protein 0.0051 0.001 0.0143
Schistosoma mansoni lipoxygenase 0.0055 0.0026 0.0388
Brugia malayi Thioredoxin peroxidase 1 0.0081 0.012 0.1642
Trichomonas vaginalis alkyl hydroperoxide reductase, subunit C, putative 0.0081 0.012 0.717
Wolbachia endosymbiont of Brugia malayi peroxiredoxin 0.0081 0.012 0.5
Giardia lamblia Glucosamine-6-phosphate isomerase, putative 0.0092 0.016 1
Loa Loa (eye worm) fli-1 protein 0.0231 0.067 0.9129
Brugia malayi Ets-domain containing protein 0.0076 0.0103 0.1399
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0026 0.0355
Plasmodium falciparum N-acetylglucosaminylphosphatidylinositol deacetylase, putative 0.0092 0.016 1
Chlamydia trachomatis thio-specific antioxidant peroxidase 0.0081 0.012 0.5
Trichomonas vaginalis alkyl hydroperoxide reductase, subunit C, putative 0.0081 0.012 0.717
Onchocerca volvulus 0.0051 0.001 0.5
Loa Loa (eye worm) thioredoxin peroxidase 1 0.0081 0.012 0.1642

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 71.88 % Inhibition of histamine release from Wistar rat peritoneal mast cells at 10 uM ChEMBL. 17936628
Inhibition (functional) = 71.88 % Inhibition of histamine release from Wistar rat peritoneal mast cells at 10 uM ChEMBL. 17936628

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.
 
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External resources for this compound

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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