Detailed information for compound 1184525

Basic information

Technical information
  • TDR Targets ID: 1184525
  • Name: N-(2-phenyl-1,3-benzoxazol-5-yl)-1-benzofuran -2-carboxamide
  • MW: 354.358 | Formula: C22H14N2O3
  • H donors: 1 H acceptors: 2 LogP: 5 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1cc2c(o1)cccc2)Nc1ccc2c(c1)nc(o2)c1ccccc1
  • InChi: 1S/C22H14N2O3/c25-21(20-12-15-8-4-5-9-18(15)26-20)23-16-10-11-19-17(13-16)24-22(27-19)14-6-2-1-3-7-14/h1-13H,(H,23,25)
  • InChiKey: KIHOFSYLWJBRDR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-phenyl-1,3-benzoxazol-5-yl)benzofuran-2-carboxamide
  • N-(2-phenyl-1,3-benzoxazol-5-yl)-2-benzofurancarboxamide
  • Oprea1_354773
  • Oprea1_075164
  • BAS 00859997
  • Benzofuran-2-carboxylic acid (2-phenyl-benzooxazol-5-yl)-amide
  • ZINC04853212
  • AK-778/11967027

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) hypothetical protein 0.0012 0.0057 0.0076
Brugia malayi steroid hormone receptor 0.0012 0.0057 0.0204
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.0057 0.0072
Trichomonas vaginalis importin beta-1, putative 0.0026 0.0383 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.0057 0.0072
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0057 0.0204
Echinococcus multilocularis geminin 0.0358 0.7878 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.0383 0.1635
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.052 0.4673
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0295 0.1904
Leishmania major DNA polymerase kappa, putative 0.0022 0.0295 0.034
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.0057 0.0204
Loa Loa (eye worm) hypothetical protein 0.0012 0.0057 0.0076
Loa Loa (eye worm) hypothetical protein 0.0012 0.0057 0.0076
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.0057 0.0204
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.2127 0.2127
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0554 0.0554
Loa Loa (eye worm) hypothetical protein 0.0051 0.0953 0.1266
Loa Loa (eye worm) hypothetical protein 0.0012 0.0057 0.0076
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.0057 0.0204
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.0057 0.0057
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0057 0.0072
Onchocerca volvulus 0.0012 0.0057 0.5
Loa Loa (eye worm) hypothetical protein 0.0032 0.052 0.0691
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.0295 0.2082
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.052 0.4673
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.0295 0.2082
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0295 0.1904
Echinococcus granulosus dna polymerase eta 0.0051 0.0953 0.0953
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.0057 0.5
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0554 0.1982
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.2191 0.2912
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.0057 0.0057
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.2127 0.27
Leishmania major DNA polymerase eta, putative 0.0051 0.0953 1
Schistosoma mansoni hypothetical protein 0.0343 0.7527 0.9554
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0271 0.0361
Echinococcus multilocularis dna polymerase eta 0.0051 0.0953 0.121
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0057 0.0204
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.0057 0.0204
Loa Loa (eye worm) hypothetical protein 0.0012 0.0057 0.0076
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.0295 0.0374
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0271 0.0971
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.0295 0.1055
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.0057 0.0072
Echinococcus granulosus snurportin 1 0.0343 0.7527 0.7527
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.0295 0.0374
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0295 0.1904
Plasmodium vivax importin-beta 2, putative 0.0032 0.052 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0554 0.0703
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.0057 0.0072
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.2191 0.7843
Echinococcus multilocularis dna polymerase kappa 0.0022 0.0295 0.0374
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.0057 0.0072
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.0295 0.034
Brugia malayi MH2 domain containing protein 0.0133 0.2794 1
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.1433 0.513
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.0057 0.0072
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.2127 0.27
Brugia malayi RNA, U transporter 1 0.0091 0.1855 0.6639
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0103 0.2127 0.2826
Trypanosoma cruzi DNA polymerase eta, putative 0.0036 0.0609 0.4953
Echinococcus granulosus geminin 0.0358 0.7878 0.7878
Loa Loa (eye worm) hypothetical protein 0.0012 0.0057 0.0076
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.0057 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.0057 0.0076
Schistosoma mansoni ap endonuclease 0.0021 0.0271 0.0345
Loa Loa (eye worm) hypothetical protein 0.0034 0.0554 0.0736
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0271 0.5
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.0057 0.0057
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.0057 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0103 0.2127 0.2127
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0271 0.1618
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0057 0.0204
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0036 0.0609 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.0057 0.0204
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.0057 0.0072
Schistosoma mansoni DNA polymerase eta 0.0051 0.0953 0.121
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.0057 0.0072
Leishmania major importin beta-1 subunit, putative 0.0026 0.0383 0.1635
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0295 1
Brugia malayi Importin beta-1 subunit 0.0032 0.052 0.1861
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.0057 0.0072
Loa Loa (eye worm) hypothetical protein 0.0012 0.0057 0.0076
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.0057 0.0072
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.0057 0.0057
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.0057 0.0076
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.0057 0.0072
Schistosoma mansoni ap endonuclease 0.0021 0.0271 0.0345
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.0057 0.0204
Trypanosoma cruzi DNA polymerase eta, putative 0.0051 0.0953 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0271 0.0345
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.0057 0.0204
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0295 0.034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.0057 0.0076
Schistosoma mansoni hypothetical protein 0.0073 0.1433 0.182
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0295 0.1904
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.0295 0.2082
Brugia malayi nuclear hormone receptor 0.0012 0.0057 0.0204
Loa Loa (eye worm) transcription factor SMAD2 0.0133 0.2794 0.3712
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.0295 0.0391
Plasmodium falciparum importin beta, putative 0.0032 0.052 1
Leishmania major DNA polymerase eta, putative 0.0036 0.0609 0.4953
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.0295 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.0057 0.0072
Loa Loa (eye worm) hypothetical protein 0.0106 0.2191 0.2912
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0057 0.0072
Giardia lamblia DINP protein human, muc B family 0.0022 0.0295 1
Brugia malayi ecdysteroid receptor 0.0012 0.0057 0.0204
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.2127 0.27
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0271 0.5
Schistosoma mansoni hypothetical protein 0.0034 0.0554 0.0703
Loa Loa (eye worm) hypothetical protein 0.0012 0.0057 0.0076
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0554 0.1982
Schistosoma mansoni thyroid hormone receptor 0.0012 0.0057 0.0072
Loa Loa (eye worm) hypothetical protein 0.0073 0.1433 0.1904
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0103 0.2127 0.27
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.0057 0.0204
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0295 0.1904
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0295 0.1904
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.0057 0.0076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0103 0.2127 0.27
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.2191 0.7843
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.0057 0.0204
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0295 0.034
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.0057 0.0072
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.0057 0.0204
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0383 1
Echinococcus multilocularis GPCR, family 2 0.0034 0.0554 0.0703
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.0057 0.0057
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.0057 0.0204
Schistosoma mansoni hypothetical protein 0.0034 0.0554 0.0703
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.0295 0.1904
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0057 0.0057
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.052 0.7357
Schistosoma mansoni hypothetical protein 0.0358 0.7878 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0343 0.7527 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0103 0.2127 0.7613
Schistosoma mansoni importin beta-1 0.0032 0.052 0.066
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0554 0.0703
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.0057 0.0076
Echinococcus granulosus importin subunit beta 1 0.0032 0.052 0.052
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.0057 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0295 0.1904
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.0295 0.0374
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0295 0.1904
Trypanosoma brucei DNA polymerase eta, putative 0.0051 0.0953 1
Echinococcus granulosus GPCR family 2 0.0034 0.0554 0.0554
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.0057 0.0072
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.0057 0.0076
Trypanosoma brucei unspecified product 0.0022 0.0295 0.1904
Echinococcus multilocularis importin subunit beta 1 0.0032 0.052 0.066
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.0057 0.0076
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0295 0.1904
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0271 0.0271
Schistosoma mansoni coup transcription factor 0.0012 0.0057 0.0072
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.0057 0.0057
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.0057 0.0072
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.0295 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.0295 0.0295
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.0057 0.0204
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.0057 0.0204
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0295 0.034
Schistosoma mansoni nuclear hormone receptor 0.0012 0.0057 0.0072
Brugia malayi nuclear receptor NHR-88 0.0012 0.0057 0.0204
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0554 0.0736
Echinococcus multilocularis snurportin 1 0.0343 0.7527 0.9554
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0295 0.1904
Brugia malayi ImpB/MucB/SamB family protein 0.0051 0.0953 0.3412
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.0057 0.0072
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.0057 0.0072
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.0057 0.0076
Schistosoma mansoni hypothetical protein 0.0358 0.7878 1
Schistosoma mansoni hypothetical protein 0.0034 0.0554 0.0703
Loa Loa (eye worm) MH2 domain-containing protein 0.0133 0.2794 0.3712
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0295 0.1904
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.0295 0.1904
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.0383 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0554 0.0554
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.0295 1
Echinococcus granulosus dna polymerase kappa 0.0022 0.0295 0.0295
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.0295 0.034
Entamoeba histolytica hypothetical protein 0.0026 0.0383 1
Schistosoma mansoni hypothetical protein 0.0034 0.0554 0.0703

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 62.5 ug ml-1 Antibacterial activity against Escherichia coli ATCC 25922 after 24 hrs by twofold serial dilution technique ChEMBL. 18289735
MIC (functional) = 62.5 ug ml-1 Antifungal activity against biofilm-positive Candida albicans isolate after 48 hrs by twofold serial dilution technique ChEMBL. 18289735
MIC (functional) = 62.5 ug ml-1 Antifungal activity against Candida albicans ATCC 10231 after 48 hrs by twofold serial dilution technique ChEMBL. 18289735
MIC (functional) = 125 ug ml-1 Antibacterial activity against Escherichia coli isolate containing extended spectrum beta lactamase after 24 hrs by twofold serial dilution technique ChEMBL. 18289735

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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