Detailed information for compound 808126

Basic information

Technical information
  • TDR Targets ID: 808126
  • Name: N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methylp henyl]-2-methylpropanamide
  • MW: 328.793 | Formula: C18H17ClN2O2
  • H donors: 1 H acceptors: 2 LogP: 4.64 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)C)Nc1cc(ccc1C)c1nc2c(o1)ccc(c2)Cl
  • InChi: 1S/C18H17ClN2O2/c1-10(2)17(22)20-14-8-12(5-4-11(14)3)18-21-15-9-13(19)6-7-16(15)23-18/h4-10H,1-3H3,(H,20,22)
  • InChiKey: RRRHWLMVDUHQQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-methyl-propanamide
  • N-[5-(5-chloro-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-2-methyl-propionamide
  • Oprea1_376266
  • ZINC00174594
  • CBMicro_013064
  • BIM-0013109.P001

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 Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.2626 0.4872
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.3556 0.3893
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0123 0.9135 0.9135
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.1438 0.1438
Brugia malayi hypothetical protein 0.0035 0.1438 0.2669
Loa Loa (eye worm) hypothetical protein 0.008 0.539 1
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.1276 0.2367
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.3556 0.5
Giardia lamblia Hypothetical protein 0.008 0.539 0.5
Schistosoma mansoni thyroid hormone receptor 0.0133 1 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.1438 0.1575
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.3556 0.5
Echinococcus granulosus equilibrative nucleoside transporter 0.008 0.539 0.59
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.0066 0.4169 0.4169
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.008 0.539 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.2626 0.4872
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0123 0.9135 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.2626 0.4872
Schistosoma mansoni hypothetical protein 0.0033 0.1276 0.1276
Brugia malayi Nucleoside transporter family protein 0.008 0.539 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.3556 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.1438 0.1438
Echinococcus multilocularis equilibrative nucleoside transporter protein 0.008 0.539 0.539
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.008 0.539 0.5
Loa Loa (eye worm) hypothetical protein 0.008 0.539 1
Schistosoma mansoni thyroid hormone receptor 0.0133 1 1
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.008 0.539 0.5
Echinococcus granulosus equilibrative nucleoside transporter 3 0.008 0.539 0.59
Schistosoma mansoni hypothetical protein 0.0123 0.9135 0.9135
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.2626 0.4872
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.3556 0.3556
Brugia malayi hypothetical protein 0.008 0.539 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.3556 0.3556
Onchocerca volvulus Equilibrative nucleoside transporter, putative homolog 0.008 0.539 1
Entamoeba histolytica nucleoside transporter, putative 0.008 0.539 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.3556 0.3556
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.008 0.539 0.5
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.3556 0.5
Echinococcus multilocularis equilibrative nucleoside transporter 3 0.008 0.539 0.539
Loa Loa (eye worm) hypothetical protein 0.0033 0.1276 0.2367
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.3556 0.5
Trichomonas vaginalis equilibrative nucleoside transporter, putative 0.008 0.539 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.3556 0.5
Loa Loa (eye worm) hypothetical protein 0.008 0.539 1
Schistosoma mansoni hypothetical protein 0.0035 0.1438 0.1438

Activities

No activities found for this compound.

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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