Detailed information for compound 907878

Basic information

Technical information
  • TDR Targets ID: 907878
  • Name: 3-phenyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5- yl)carbamothioyl]prop-2-enamide
  • MW: 400.453 | Formula: C22H16N4O2S
  • H donors: 2 H acceptors: 3 LogP: 4.38 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(NC(=S)Nc1ccc2c(c1)nc(o2)c1cccnc1)C=Cc1ccccc1
  • InChi: 1S/C22H16N4O2S/c27-20(11-8-15-5-2-1-3-6-15)26-22(29)24-17-9-10-19-18(13-17)25-21(28-19)16-7-4-12-23-14-16/h1-14H,(H2,24,26,27,29)/b11-8+
  • InChiKey: RZDRHZJVBXEJGN-DHZHZOJOSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (E)-3-phenyl-N-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbamothioyl]prop-2-enamide
  • (E)-3-phenyl-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]prop-2-enamide
  • 3-phenyl-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]carbamothioyl]prop-2-enamide
  • (E)-3-phenyl-N-[[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]amino]-thioxomethyl]prop-2-enamide
  • 3-phenyl-N-[[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]amino]-thioxomethyl]prop-2-enamide
  • (E)-3-phenyl-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acrylamide
  • 3-phenyl-N-[[2-(3-pyridyl)-1,3-benzoxazol-5-yl]thiocarbamoyl]acrylamide
  • 6151-75-3
  • ZINC01205768
  • STK000505
  • CBMicro_012405
  • BIM-0012238.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
Echinococcus multilocularis musashi 0.0029 0.0177 0.0171
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.1209 0.1209
Brugia malayi MH2 domain containing protein 0.0053 0.0491 0.0491
Loa Loa (eye worm) TAR-binding protein 0.0337 0.4239 0.4239
Onchocerca volvulus 0.0248 0.3061 1
Schistosoma mansoni hypothetical protein 0.0034 0.0243 0.033
Echinococcus multilocularis mothers against decapentaplegic 5 0.0053 0.0491 0.093
Schistosoma mansoni hypothetical protein 0.0034 0.0243 0.033
Echinococcus granulosus lamin dm0 0.0029 0.0177 0.0171
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0207 0.0244
Plasmodium vivax SET domain protein, putative 0.0031 0.0207 0.5
Echinococcus multilocularis tar DNA binding protein 0.0337 0.4239 1
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4239 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0207 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0207 0.0244
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0337 0.4239 0.4239
Echinococcus multilocularis Smad4 0.0053 0.0491 0.093
Echinococcus granulosus TGF beta signal transducer SmadC 0.0053 0.0491 0.093
Brugia malayi Pre-SET motif family protein 0.0217 0.2664 0.2664
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4239 1
Schistosoma mansoni smad1 5 8 and 0.0053 0.0491 0.093
Brugia malayi MH1 domain containing protein 0.0029 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0073 0.0762 0.0762
Schistosoma mansoni hypothetical protein 0.0073 0.0762 0.1586
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0243 0.033
Echinococcus granulosus GPCR family 2 0.0034 0.0243 0.033
Brugia malayi MH1 domain containing protein 0.0029 0.018 0.018
Schistosoma mansoni hypothetical protein 0.0034 0.0243 0.033
Echinococcus multilocularis lamin dm0 0.0029 0.0177 0.0171
Echinococcus granulosus Smad4 0.0053 0.0491 0.093
Loa Loa (eye worm) MH2 domain-containing protein 0.0053 0.0491 0.0491
Brugia malayi Pre-SET motif family protein 0.0031 0.0207 0.0207
Schistosoma mansoni intermediate filament proteins 0.0029 0.0177 0.0171
Loa Loa (eye worm) hypothetical protein 0.0024 0.0106 0.0106
Schistosoma mansoni Smad4 0.0053 0.0491 0.093
Loa Loa (eye worm) RNA binding protein 0.0337 0.4239 0.4239
Loa Loa (eye worm) MH1 domain-containing protein 0.0024 0.0106 0.0106
Trichomonas vaginalis set domain proteins, putative 0.0248 0.3061 0.5
Loa Loa (eye worm) hypothetical protein 0.0029 0.0177 0.0177
Schistosoma mansoni smad 0.0053 0.0491 0.093
Brugia malayi intermediate filament protein 0.0029 0.0177 0.0177
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.1209 0.1209
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0243 0.033
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0762 0.0762
Echinococcus granulosus tar DNA binding protein 0.0337 0.4239 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.0192 0.0207
Loa Loa (eye worm) hypothetical protein 0.0107 0.1209 0.1209
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4239 1
Echinococcus granulosus smad 0.0053 0.0491 0.093
Loa Loa (eye worm) transcription factor SMAD2 0.0774 1 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0243 0.0243
Brugia malayi RNA binding protein 0.0337 0.4239 0.4239
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0243 0.033
Brugia malayi RNA recognition motif domain containing protein 0.0337 0.4239 0.4239
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0029 0.0177 0.0177
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0207 0.0244
Loa Loa (eye worm) hypothetical protein 0.0029 0.018 0.018
Loa Loa (eye worm) hypothetical protein 0.0034 0.0243 0.0243
Echinococcus multilocularis GPCR, family 2 0.0034 0.0243 0.033
Brugia malayi MH1 domain containing protein 0.0053 0.0491 0.0491
Schistosoma mansoni smad1 5 8 and 0.0053 0.0491 0.093
Onchocerca volvulus 0.0029 0.0177 0.0239
Schistosoma mansoni lamin 0.0029 0.0177 0.0171
Loa Loa (eye worm) Smad1 0.0053 0.0491 0.0491
Loa Loa (eye worm) MH2 domain-containing protein 0.0774 1 1
Loa Loa (eye worm) nuclear factor I 0.0029 0.018 0.018
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0217 0.2664 0.2664
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0243 0.0243
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0243 0.0243
Brugia malayi Smad1 0.0053 0.0491 0.0491
Echinococcus multilocularis smad 0.0053 0.0491 0.093
Loa Loa (eye worm) MH1 domain-containing protein 0.0053 0.0491 0.0491
Brugia malayi MH2 domain containing protein 0.0024 0.0106 0.0106
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.1209 0.1209
Brugia malayi Intermediate filament tail domain containing protein 0.0029 0.0177 0.0177
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0207 0.0244
Echinococcus granulosus lamin 0.0029 0.0177 0.0171
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4239 1
Loa Loa (eye worm) intermediate filament protein 0.0029 0.0177 0.0177
Schistosoma mansoni smad1 5 8 and 0.0053 0.0491 0.093
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0243 0.033
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0207 0.0244
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0207 0.0244
Schistosoma mansoni hypothetical protein 0.0034 0.0243 0.033
Echinococcus multilocularis lamin 0.0029 0.0177 0.0171
Onchocerca volvulus 0.0029 0.0177 0.0239
Brugia malayi mothers against decapentaplegic homolog 3 0.0024 0.0106 0.0106
Echinococcus granulosus intermediate filament protein 0.0029 0.0177 0.0171
Brugia malayi MH2 domain containing protein 0.0053 0.0491 0.0491
Onchocerca volvulus 0.0031 0.0207 0.0341
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0207 0.0244
Loa Loa (eye worm) MH2 domain-containing protein 0.0024 0.0106 0.0106
Loa Loa (eye worm) hypothetical protein 0.0028 0.017 0.017
Echinococcus granulosus mothers against decapentaplegic 5 0.0053 0.0491 0.093
Loa Loa (eye worm) hypothetical protein 0.0031 0.0207 0.0207
Brugia malayi MH1 domain containing protein 0.0053 0.0491 0.0491
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0053 0.0491 0.093
Brugia malayi TAR-binding protein 0.0337 0.4239 0.4239
Schistosoma mansoni tar DNA-binding protein 0.0337 0.4239 1
Schistosoma mansoni lamin 0.0029 0.0177 0.0171
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0053 0.0491 0.093

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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