Detailed information for compound 1991280

Basic information

Technical information
  • TDR Targets ID: 1991280
  • Name: N-[(2Z)-2-(2-methyl-6,7-dihydrocyclopenta[g][ 1,3]benzoxazol-8-ylidene)ethyl]acetamide
  • MW: 256.3 | Formula: C15H16N2O2
  • H donors: 1 H acceptors: 2 LogP: 1.84 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)NC/C=C\1/CCc2c1c1oc(nc1cc2)C
  • InChi: 1S/C15H16N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-7H,3-4,8H2,1-2H3,(H,16,18)/b12-7-
  • InChiKey: AGFPOHCQQFJZBW-GHXNOFRVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2Z)-2-(2-methyl-6,7-dihydrocyclopenta[g][1,3]benzoxazol-8-ylidene)ethyl]ethanamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens melatonin receptor 1B Starlite/ChEMBL No references
Homo sapiens melatonin receptor 1A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi hypothetical protein melatonin receptor 1B 362 aa 329 aa 18.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.5371 0.5371
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.1035 0.5
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.1035 0.1745
Schistosoma mansoni DNA polymerase eta 0.002 0.1035 0.1745
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.1035 0.5
Echinococcus multilocularis dna polymerase kappa 0.002 0.1035 0.1745
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.1035 0.5
Giardia lamblia DINP protein human, muc B family 0.002 0.1035 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.1035 0.5
Leishmania major DNA polymerase kappa, putative 0.002 0.1035 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.1035 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.5929 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 1 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.1035 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.1035 0.5
Loa Loa (eye worm) hypothetical protein 0.002 0.1035 0.1035
Mycobacterium ulcerans DNA polymerase IV 0.002 0.1035 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.1035 0.5
Entamoeba histolytica hypothetical protein 0.0038 0.5929 1
Echinococcus granulosus dna polymerase kappa 0.002 0.1035 0.1745
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.1035 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.1035 0.5
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.1035 0.1745
Entamoeba histolytica hypothetical protein 0.0038 0.5929 1
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.1035 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.1035 0.5
Leishmania major DNA polymerase eta, putative 0.002 0.1035 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.1035 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.1035 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.5371 0.906
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.1035 0.1035
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.1035 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.5929 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.1035 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.1035 0.5
Echinococcus granulosus dna polymerase eta 0.002 0.1035 0.1745
Echinococcus multilocularis dna polymerase eta 0.002 0.1035 0.1745
Brugia malayi hypothetical protein 0.0038 0.5929 0.5929
Trypanosoma brucei unspecified product 0.002 0.1035 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.1035 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.5929 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.1035 0.1035
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.1035 0.1745
Mycobacterium ulcerans DNA polymerase IV 0.002 0.1035 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.1035 0.5
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.1035 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.5929 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.5929 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.1035 0.1745
Entamoeba histolytica hypothetical protein 0.0038 0.5929 1
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.1035 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.1035 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.1035 0.1035
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.1035 0.5
Loa Loa (eye worm) hypothetical protein 0.0036 0.5371 0.5371
Loa Loa (eye worm) hypothetical protein 0.0052 1 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.1035 0.5

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.37 nM BindingDB_Patents: Binding Assay. Binding assay using melatonin receptors 1 or 2. 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

No external resources registered for this compound

Bibliographic References

No literature references available for this target.

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