Detailed information for compound 1052906

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 306.401 | Formula: C20H22N2O
  • H donors: 0 H acceptors: 1 LogP: 4.75 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(Cc1coc(n1)c1cccc2c1cccc2)CC(=C)C
  • InChi: 1S/C20H22N2O/c1-4-22(12-15(2)3)13-17-14-23-20(21-17)19-11-7-9-16-8-5-6-10-18(16)19/h5-11,14H,2,4,12-13H2,1,3H3
  • InChiKey: QURWDQNITHFXKL-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 multilocularis lysosomal alpha glucosidase 0.0162 0.4579 0.6197
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.068 0.092
Schistosoma mansoni alpha glucosidase 0.0036 0.0208 0.0487
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0208 0.2013
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0153 0.4259 1
Onchocerca volvulus 0.005 0.068 0.3077
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.1107 0.1497
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.0201 0.0273
Echinococcus multilocularis lysosomal alpha glucosidase 0.0162 0.4579 0.6197
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1031 0.2421
Schistosoma mansoni hypothetical protein 0.005 0.068 0.1597
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0219 0.0513
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0513 0.0312
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0389 1
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.1031 0.2421
Schistosoma mansoni hypothetical protein 0.0036 0.0201 0.0473
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0219 0.0296
Schistosoma mansoni jumonji domain containing protein 0.0078 0.1665 0.3909
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0208 0.0281
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0219 0.0513
Schistosoma mansoni alpha-glucosidase 0.0139 0.3797 0.8916
Echinococcus granulosus survival motor neuron protein 1 0.0243 0.739 1
Brugia malayi acetyltransferase, GNAT family protein 0.0153 0.4259 0.5763
Brugia malayi hypothetical protein 0.0036 0.0201 0.0273
Trichomonas vaginalis bromodomain-containing protein, putative 0.0045 0.0519 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.0201 0.0273
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0219 0.0296
Mycobacterium ulcerans hypothetical protein 0.0168 0.4776 1
Echinococcus granulosus lysosomal alpha glucosidase 0.0162 0.4579 0.6197
Onchocerca volvulus 0.0094 0.221 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.068 0.092
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0513 0.0312
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.1031 1
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0208 0.0322
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0208 0.0281
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0045 0.0519 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0162 0.4579 0.6197
Schistosoma mansoni alpha-glucosidase 0.0139 0.3797 0.8916
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0045 0.0519 1
Loa Loa (eye worm) hypothetical protein 0.005 0.068 0.092
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0389 1
Schistosoma mansoni survival motor neuron protein 0.005 0.068 0.1597
Loa Loa (eye worm) hypothetical protein 0.0051 0.0742 0.1005
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0208 0.0281
Brugia malayi hypothetical protein 0.0243 0.739 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0136 0.0184
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0219 0.0296
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0208 0.0281
Brugia malayi jmjC domain containing protein 0.0098 0.2364 0.32
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0045 0.0519 0.5032
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.005 0.068 0.092
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.1031 0.0841
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0151 0.4185 0.4062
Mycobacterium tuberculosis Conserved hypothetical protein 0.0168 0.4776 1
Loa Loa (eye worm) acetyltransferase 0.0153 0.4259 0.5763
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.068 0.092
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.1031 0.1395
Brugia malayi Bromodomain containing protein 0.0034 0.013 0.0176
Echinococcus granulosus peregrin 0.0034 0.013 0.0176
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0407 0.0551
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0045 0.0519 0.5032
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0318 1 1
Schistosoma mansoni hypothetical protein 0.0034 0.0136 0.0319
Loa Loa (eye worm) hypothetical protein 0.0243 0.739 1
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0318 1 1
Schistosoma mansoni retinoic acid receptor RXR 0.012 0.3131 0.7353
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.4185 0.4062
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0389 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.2364 0.32
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0108 0.2704 0.3659
Brugia malayi jmjC domain containing protein 0.0036 0.0219 0.0296
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0407 0.0551
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0318 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.0243 0.739 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0853 0.0659
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0136 0.0184
Echinococcus granulosus histone acetyltransferase KAT2B 0.0045 0.0519 0.0702
Echinococcus granulosus histone acetyltransferase KAT2B 0.0148 0.411 0.5562
Echinococcus multilocularis peregrin 0.0034 0.013 0.0176
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0162 0.4579 0.6197
Toxoplasma gondii hypothetical protein 0.0051 0.0741 0.7191
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0153 0.4259 0.5763
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.2364 0.32
Echinococcus granulosus retinoic acid receptor rxr beta a 0.012 0.3131 0.4238
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.1031 0.1395
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.4185 0.4062
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0513 0.0312
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0201 0.0473
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0036 0.0208 0.0322
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0513 0.0312

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = -7 % DNDI: Inhibition of Human African Trypanosomiasis, SBRI 427, in vitro at 2 ug.mL-1 ChEMBL. No reference

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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