Detailed information for compound 251444

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 254.327 | Formula: C16H18N2O
  • H donors: 0 H acceptors: 2 LogP: 1.95 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1(C)OC(c2c1cc(nn2)c1ccccc1)(C)C
  • InChi: 1S/C16H18N2O/c1-15(2)12-10-13(11-8-6-5-7-9-11)17-18-14(12)16(3,4)19-15/h5-10H,1-4H3
  • InChiKey: GKXVLTQBJANIBM-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
Schistosoma mansoni hypothetical protein 0.0586 0.0721 0.2495
Schistosoma mansoni inositol monophosphatase 0.0043 0.0011 0.0037
Loa Loa (eye worm) hypothetical protein 0.2246 0.2891 0.2891
Schistosoma mansoni hypothetical protein 0.0586 0.0721 0.2495
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0547 0.067 0.2318
Loa Loa (eye worm) hypothetical protein 0.166 0.2125 0.2125
Schistosoma mansoni hypothetical protein 0.0586 0.0721 0.2495
Mycobacterium leprae probable zinc metalloprotease 0.2246 0.2891 1
Schistosoma mansoni endothelin-converting enzyme-related 0.0547 0.067 0.2318
Loa Loa (eye worm) inositol-1 0.0043 0.0011 0.0011
Loa Loa (eye worm) hypothetical protein 0.1113 0.141 0.141
Toxoplasma gondii peptidase family M13 protein 0.2246 0.2891 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.2246 0.2891 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0011 0.5
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.2246 0.2891 0.2891
Echinococcus granulosus inositol monophosphatase 1 0.0043 0.0011 0.0037
Loa Loa (eye worm) hypothetical protein 0.1699 0.2176 0.2176
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.1133 0.1436 0.4968
Mycobacterium ulcerans zinc metalloprotease 0.2246 0.2891 1
Loa Loa (eye worm) hypothetical protein 0.1699 0.2176 0.2176
Trichomonas vaginalis set domain proteins, putative 0.0274 0.0313 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0241 0.0269 0.0269
Brugia malayi Pre-SET motif family protein 0.0241 0.0269 0.0269
Loa Loa (eye worm) hypothetical protein 0.1699 0.2176 0.2176
Loa Loa (eye worm) hypothetical protein 0.2246 0.2891 0.2891
Loa Loa (eye worm) hypothetical protein 0.166 0.2125 0.2125
Brugia malayi peptidase family M13 containing protein 0.0547 0.067 0.067
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0011 0.5
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0586 0.0721 0.2495
Onchocerca volvulus 0.0274 0.0313 0.222
Loa Loa (eye worm) peptidase family M13 containing protein 0.166 0.2125 0.2125
Schistosoma mansoni hypothetical protein 0.0586 0.0721 0.2495
Loa Loa (eye worm) hypothetical protein 0.1699 0.2176 0.2176
Echinococcus multilocularis endothelin converting enzyme 1 0.2246 0.2891 1
Schistosoma mansoni Nep2 peptidase (M13 family) 0.1133 0.1436 0.4968
Loa Loa (eye worm) hypothetical protein 0.166 0.2125 0.2125
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0547 0.067 0.2318
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.2246 0.2891 1
Loa Loa (eye worm) hypothetical protein 0.1699 0.2176 0.2176
Loa Loa (eye worm) zinc metallopeptidase 4 0.0547 0.067 0.067
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0011 0.5
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0043 0.0011 0.5
Schistosoma mansoni hypothetical protein 0.0586 0.0721 0.2495
Loa Loa (eye worm) peptidase family M13 containing protein 0.166 0.2125 0.2125
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.1133 0.1436 0.4968
Loa Loa (eye worm) hypothetical protein 0.166 0.2125 0.2125
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0547 0.067 0.2318
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0043 0.0011 0.5
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.7684 1 1
Schistosoma mansoni neprilysin 0.0586 0.0721 0.2495
Brugia malayi Peptidase family M13 containing protein 0.2246 0.2891 0.2891
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0043 0.0011 0.0037
Schistosoma mansoni inositol monophosphatase 0.0043 0.0011 0.0037
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0547 0.067 0.2318
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0043 0.0011 0.5
Loa Loa (eye worm) hypothetical protein 0.2246 0.2891 0.2891
Plasmodium vivax SET domain protein, putative 0.0035 0 0.5
Schistosoma mansoni neprilysin-2 (M13 family) 0.1133 0.1436 0.4968
Loa Loa (eye worm) hypothetical protein 0.1699 0.2176 0.2176
Onchocerca volvulus 0.1113 0.141 1
Brugia malayi Inositol-1 0.0043 0.0011 0.0011
Schistosoma mansoni hypothetical protein 0.0586 0.0721 0.2495
Echinococcus granulosus endothelin converting enzyme 1 0.2246 0.2891 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.1133 0.1436 0.4968
Echinococcus multilocularis inositol monophosphatase 1 0.0043 0.0011 0.0037
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0547 0.067 0.2318

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 112.5 mg kg-1 Ability to reinduce anesthesia in mice as a measure of in vivo sedative-hypnotic activity ChEMBL. 7241505

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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