Detailed information for compound 33453

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 241.285 | Formula: C15H15NO2
  • H donors: 0 H acceptors: 2 LogP: 2.96 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1ccc(c(c1)C(=O)c1ccncc1)OC
  • InChi: 1S/C15H15NO2/c1-3-11-4-5-14(18-2)13(10-11)15(17)12-6-8-16-9-7-12/h4-10H,3H2,1-2H3
  • InChiKey: MJWMBEVOVZQXLR-UHFFFAOYSA-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
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.014 0.026 0.0262
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0143 0.0302 0.0043
Toxoplasma gondii kringle domain-containing protein 0.0403 0.3203 1
Brugia malayi Kringle domain containing protein 0.0403 0.3203 0.3229
Loa Loa (eye worm) hypothetical protein 0.0403 0.3203 0.3229
Leishmania major hypothetical protein, conserved 0.0403 0.3203 0.5
Onchocerca volvulus 0.0864 0.8356 0.8426
Loa Loa (eye worm) hypothetical protein 0.1004 0.9917 1
Loa Loa (eye worm) hypothetical protein 0.1004 0.9917 1
Brugia malayi Protein kinase domain containing protein 0.0408 0.3257 0.3284
Echinococcus multilocularis glycoprotein Antigen 5 0.0214 0.1095 0.2839
Echinococcus granulosus glycoprotein Antigen 5 0.0214 0.1095 0.2839
Toxoplasma gondii PAN domain-containing protein 0.0387 0.302 0.9431
Loa Loa (eye worm) hypothetical protein 0.014 0.026 0.0262
Loa Loa (eye worm) hypothetical protein 0.014 0.026 0.0262
Mycobacterium ulcerans hypothetical protein 0.014 0.026 0.5
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0214 0.1095 0.0858
Brugia malayi Trypsin-like protease protein 5 0.014 0.026 0.0262
Onchocerca volvulus 0.1004 0.9917 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.1004 0.9917 0.9914
Brugia malayi Trypsin family protein 0.014 0.026 0.0262
Onchocerca volvulus 0.014 0.026 0.0262
Plasmodium falciparum cysteine repeat modular protein 1 0.0403 0.3203 0.5
Brugia malayi Trypsin family protein 0.014 0.026 0.0262
Loa Loa (eye worm) trypsin family protein 0.014 0.026 0.0262
Echinococcus multilocularis tissue type plasminogen activator 0.0403 0.3203 1
Echinococcus multilocularis enteropeptidase 0.0214 0.1095 0.2839
Brugia malayi Trypsin family protein 0.014 0.026 0.0262
Loa Loa (eye worm) hypothetical protein 0.014 0.026 0.0262
Brugia malayi Trypsin family protein 0.1004 0.9917 1
Loa Loa (eye worm) hypothetical protein 0.014 0.026 0.0262
Onchocerca volvulus 0.0403 0.3203 0.3229
Loa Loa (eye worm) hypothetical protein 0.014 0.026 0.0262
Echinococcus granulosus tissue type plasminogen activator 0.0403 0.3203 1
Echinococcus granulosus Mastin 0.0214 0.1095 0.2839
Onchocerca volvulus 0.014 0.026 0.0262
Brugia malayi hypothetical protein 0.014 0.026 0.0262
Toxoplasma gondii PAN domain-containing protein 0.0387 0.302 0.9431
Onchocerca volvulus 0.014 0.026 0.0262
Schistosoma mansoni hypothetical protein 0.0403 0.3203 0.3021
Onchocerca volvulus 0.014 0.026 0.0262
Echinococcus granulosus enteropeptidase 0.0214 0.1095 0.2839
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0403 0.3203 0.5
Loa Loa (eye worm) TK/ROR protein kinase 0.0408 0.3257 0.3284
Echinococcus multilocularis Mastin 0.0214 0.1095 0.2839
Trypanosoma cruzi hypothetical protein, conserved 0.0403 0.3203 0.5
Onchocerca volvulus 0.014 0.026 0.0262

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 0 % Inhibition of slow reacting substance of anaphylaxis (SRS-A) release from sensitized guinea pig chopped lung upon antigen challenge at 10 ug/mL ChEMBL. 3612683
Inhibition (functional) NT 0 % Inhibition of histamine release from sensitized guinea pig chopped lung, upon antigen challenge at 10 ug/mL. ChEMBL. 3612683

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

1 literature reference was collected for this gene.

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