Detailed information for compound 1006455

Basic information

Technical information
  • TDR Targets ID: 1006455
  • Name: (E)-2-(1,3-benzoxazol-2-yl)-3-pyridin-2-ylpro p-2-enenitrile
  • MW: 247.251 | Formula: C15H9N3O
  • H donors: 0 H acceptors: 3 LogP: 2.54 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#C/C(=C\c1ccccn1)/c1nc2c(o1)cccc2
  • InChi: 1S/C15H9N3O/c16-10-11(9-12-5-3-4-8-17-12)15-18-13-6-1-2-7-14(13)19-15/h1-9H/b11-9+
  • InChiKey: SWGJCVDRRFTLLF-PKNBQFBNSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-2-(1,3-benzoxazol-2-yl)-3-(2-pyridyl)prop-2-enenitrile
  • (E)-2-(1,3-benzoxazol-2-yl)-3-(2-pyridyl)acrylonitrile
  • (E)-2-(1,3-benzoxazol-2-yl)-3-pyridin-2-yl-prop-2-enenitrile
  • NSC737749

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) pre-SET domain-containing protein family protein 0.023 0.1522 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0015 0.0098
Onchocerca volvulus 0.0033 0.0135 0.0137
Brugia malayi Pre-SET motif family protein 0.0033 0.0135 0.0795
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0638 0.2509
Plasmodium vivax beta-ketoacyl-acyl carrier protein synthase III precursor, putative 0.0659 0.4539 1
Echinococcus granulosus intermediate filament protein 0.003 0.0112 0.0109
Chlamydia trachomatis oxoacyl-ACP synthase III 0.0659 0.4539 0.5
Mycobacterium ulcerans beta-ketoacyl synthase-like protein 0.0659 0.4539 1
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0375 0.0266
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.0638 0.3215
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0112 0.0646
Echinococcus multilocularis lamin 0.003 0.0112 0.0109
Loa Loa (eye worm) hypothetical protein 0.0029 0.0109 0.0713
Schistosoma mansoni microtubule-associated protein tau 0.1435 1 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0004 0.0025
Onchocerca volvulus Huntingtin homolog 0.0119 0.0742 0.3854
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0112 0.0739
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.0638 1
Echinococcus granulosus lamin dm0 0.003 0.0112 0.0109
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0638 0.2509
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.0638 1
Plasmodium falciparum beta-ketoacyl-ACP synthase III 0.0659 0.4539 0.5
Loa Loa (eye worm) hypothetical protein 0.0119 0.0742 0.4874
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0032 0.0126 0.0123
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0659 0.4539 1
Giardia lamblia Kinase, PLK 0.0104 0.0638 0.5
Brugia malayi Pre-SET motif family protein 0.023 0.1522 1
Echinococcus granulosus lamin 0.003 0.0112 0.0109
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0638 0.2509
Mycobacterium ulcerans 3-oxoacyl-ACP synthase 0.0659 0.4539 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0112 0.0739
Toxoplasma gondii aldehyde dehydrogenase 0.0067 0.0375 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0638 0.2509
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0067 0.0375 0.0371
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.0638 0.0634
Schistosoma mansoni aldehyde dehydrogenase 0.0067 0.0375 0.0266
Schistosoma mansoni kinase 0.0053 0.0276 0.0166
Mycobacterium tuberculosis 3-oxoacyl-[acyl-carrier-protein] synthase III FabH (beta-ketoacyl-ACP synthase III) (KAS III) 0.0659 0.4539 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.0638 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0135 0.0023
Echinococcus multilocularis musashi 0.003 0.0112 0.0109
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.0638 0.4189
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.0638 0.0634
Onchocerca volvulus 0.0262 0.1746 1
Trichomonas vaginalis set domain proteins, putative 0.0262 0.1746 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0135 0.0023
Echinococcus multilocularis lamin dm0 0.003 0.0112 0.0109
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0638 0.2509
Loa Loa (eye worm) hypothetical protein 0.0119 0.0742 0.4874
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.0638 0.4131
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0135 0.0131
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0638 0.2509
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.0638 0.2509
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.0638 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0033 0.0135 0.0131
Loa Loa (eye worm) intermediate filament protein 0.003 0.0112 0.0739
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0135 0.0023
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0033 0.0135 0.0131
Brugia malayi hypothetical protein 0.0119 0.0742 0.4823
Trypanosoma brucei polo-like protein kinase 0.0104 0.0638 0.5
Echinococcus multilocularis microtubule associated protein 2 0.1435 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0135 0.0023
Brugia malayi intermediate filament protein 0.003 0.0112 0.0646
Onchocerca volvulus Huntingtin homolog 0.0119 0.0742 0.3854
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.0638 0.0531
Loa Loa (eye worm) hypothetical protein 0.0033 0.0135 0.0886
Wolbachia endosymbiont of Brugia malayi 3-oxoacyl-ACP synthase 0.0659 0.4539 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0067 0.0375 0.0371

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 20 uM Cytotoxicity against human RT4 cells after 96 hrs by microtiter assay ChEMBL. 18187237
IC50 (functional) > 20 uM Cytotoxicity against human 5637 cells after 96 hrs by microtiter assay ChEMBL. 18187237

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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