Detailed information for compound 434961

Basic information

Technical information
  • TDR Targets ID: 434961
  • Name: N-(2-benzyl-1,3-benzoxazol-5-yl)benzamide
  • MW: 328.364 | Formula: C21H16N2O2
  • H donors: 1 H acceptors: 2 LogP: 4.56 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)Nc1ccc2c(c1)nc(o2)Cc1ccccc1
  • InChi: 1S/C21H16N2O2/c24-21(16-9-5-2-6-10-16)22-17-11-12-19-18(14-17)23-20(25-19)13-15-7-3-1-4-8-15/h1-12,14H,13H2,(H,22,24)
  • InChiKey: AGPNYRFTGPGNQM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[2-(phenylmethyl)-1,3-benzoxazol-5-yl]benzamide
  • N-[2-(benzyl)-1,3-benzoxazol-5-yl]benzamide
  • AIDS-222962
  • AIDS222962
  • N-(2-Benzyl-benzooxazol-5-yl)-benzamide

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
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.1333 1 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.001 0.0009 0.0009
Echinococcus multilocularis calpain family protein 1, d 0.0044 0.0266 0.1012
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.001 0.0009 0.0034
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0009 0.0034
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1333 1 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.001 0.0009 0.0034
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.001 0.0009 0.0081
Schistosoma mansoni calpain-7 (C02 family) 0.0019 0.0075 0.0678
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1333 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.027 0.1026
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1333 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.001 0.0009 0.0009
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0066 0.043 0.1637
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0162 0.116 0.4413
Echinococcus granulosus retinoic acid receptor rxr beta a 0.001 0.0009 0.0034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.001 0.0009 0.0009
Echinococcus multilocularis FTZ F1 alpha 0.001 0.0009 0.0034
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.001 0.0009 0.0034
Schistosoma mansoni nuclear hormone receptor 0.001 0.0009 0.0081
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0044 0.027 0.027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.001 0.0009 0.0009
Echinococcus granulosus ecdysone induced protein 78C 0.001 0.0009 0.0034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.027 0.2429
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Echinococcus granulosus voltage dependent calcium channel subunit 0.0357 0.2628 1
Onchocerca volvulus Bile acid receptor homolog 0.001 0.0009 0.0009
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.001 0.0009 0.0034
Loa Loa (eye worm) hypothetical protein 0.0175 0.1256 0.1256
Schistosoma mansoni calpain C (C02 family) 0.0019 0.0075 0.0678
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0156 0.111 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0009 0.0009
Schistosoma mansoni RAR-like nuclear receptor 0.001 0.0009 0.0081
Brugia malayi Latrophilin receptor protein 2 0.0015 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1333 1 1
Brugia malayi calpain family protein 1 0.0062 0.0406 0.0406
Schistosoma mansoni dihydropyridine-sensitive l-type calcium channel 0.0078 0.0527 0.4751
Echinococcus granulosus nuclear receptor 2DBD gamma 0.001 0.0009 0.0034
Loa Loa (eye worm) hypothetical protein 0.0062 0.0406 0.0406
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.001 0.0009 0.0009
Brugia malayi calpain 5 0.0019 0.0075 0.0075
Echinococcus multilocularis thyroid hormone receptor alpha 0.001 0.0009 0.0034
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Leishmania major hypothetical protein, conserved 0.0411 0.3038 1
Schistosoma mansoni calpain (C02 family) 0.0019 0.0075 0.0678
Loa Loa (eye worm) hypothetical protein 0.0062 0.0406 0.0406
Schistosoma mansoni serine-rich repeat protein 0.0084 0.0568 0.5114
Schistosoma mansoni thyroid hormone receptor 0.001 0.0009 0.0081
Schistosoma mansoni Mername-AA248 (C02 family) 0.0019 0.0075 0.0678
Echinococcus granulosus calpain 5 0.0019 0.0075 0.0286
Schistosoma mansoni hypothetical protein 0.0084 0.0568 0.5114
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.001 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0015 0.005 0.0454
Echinococcus multilocularis calpain 0.0019 0.0075 0.0286
Schistosoma mansoni Tr4/Tr2 (homologue) 0.001 0.0009 0.0081
Brugia malayi N-terminal motif family protein 0.0175 0.1256 0.1256
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.001 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0033 0.0184 0.1661
Brugia malayi Cache domain containing protein 0.0072 0.0477 0.0477
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.001 0.0009 0.0081
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.03 0.03
Loa Loa (eye worm) hypothetical protein 0.0044 0.0266 0.0266
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.005 0.0192
Onchocerca volvulus 0.1333 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0411 0.3038 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0044 0.027 0.1026
Brugia malayi steroid hormone receptor 0.001 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0015 0.005 0.0454
Brugia malayi calpain 7 0.0019 0.0075 0.0075
Brugia malayi nuclear hormone receptor 0.001 0.0009 0.0009
Plasmodium vivax calpain, putative 0.0019 0.0075 0.5
Loa Loa (eye worm) calpain family protein 1 0.0062 0.0406 0.0406
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.001 0.0009 0.0034
Loa Loa (eye worm) hypothetical protein 0.0015 0.005 0.005
Echinococcus granulosus FTZ F1 alpha 0.001 0.0009 0.0034
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0062 0.0406 0.366
Brugia malayi Steroid receptor seven-up type 2 0.001 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-14 0.001 0.0009 0.0009
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0175 0.1256 0.1256
Schistosoma mansoni retinoic acid receptor RXR 0.001 0.0009 0.0081
Loa Loa (eye worm) calpain 5 0.0019 0.0075 0.0075
Echinococcus multilocularis calpain 7 (C02 family) 0.0019 0.0075 0.0286
Echinococcus granulosus calpain 7 C02 family 0.0019 0.0075 0.0286
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.001 0.0009 0.0009
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1333 1 1
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.043 0.3877
Loa Loa (eye worm) hypothetical protein 0.0044 0.0266 0.0266
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.001 0.0009 0.0034
Echinococcus granulosus voltage dependent calcium channel subunit 0.0162 0.116 0.4413
Echinococcus multilocularis GPCR, family 2 0.0015 0.005 0.0192
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.1333 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.027 0.1026
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0009 0.0034
Onchocerca volvulus Protein ultraspiracle homolog 0.001 0.0009 0.0009
Echinococcus multilocularis calpain 5 0.0019 0.0075 0.0286
Echinococcus multilocularis hypothetical protein 0.0019 0.0075 0.0286
Brugia malayi calpain family protein 1 0.0062 0.0406 0.0406
Brugia malayi Nuclear hormone receptor family member nhr-25 0.001 0.0009 0.0009
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.005 0.0192
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0048 0.03 0.03
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.005 0.005
Entamoeba histolytica protein tyrosine phosphatase, putative 0.1333 1 1
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0411 0.3038 1
Schistosoma mansoni hypothetical protein 0.0015 0.005 0.0454
Brugia malayi Nuclear hormone receptor-like 1 0.001 0.0009 0.0009
Onchocerca volvulus 0.0044 0.0266 0.0266
Brugia malayi photoreceptor-specific nuclear receptor 0.001 0.0009 0.0009
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0044 0.027 0.1026
Loa Loa (eye worm) calpain family protein 1 0.0044 0.0266 0.0266
Echinococcus multilocularis voltage dependent calcium channel subunit 0.0357 0.2628 1
Brugia malayi Nuclear hormone receptor family member nhr-41 0.001 0.0009 0.0009
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.001 0.0009 0.0034
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.03 0.03
Brugia malayi Nuclear hormone receptor family member nhr-31 0.001 0.0009 0.0009
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.001 0.0009 0.0081
Trypanosoma cruzi hypothetical protein, conserved 0.0411 0.3038 1
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Schistosoma mansoni retinoid-x-receptor (RXR) 0.001 0.0009 0.0081
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0009 0.0009
Echinococcus multilocularis ecdysone induced protein 78C 0.001 0.0009 0.0034
Schistosoma mansoni steroid hormone receptor ad4bp 0.001 0.0009 0.0081
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.001 0.0009 0.0009
Brugia malayi ecdysteroid receptor 0.001 0.0009 0.0009
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0184 0.0184
Echinococcus granulosus calpain A 0.0019 0.0075 0.0286
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0009 0.0009
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0066 0.043 0.3877
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-40 0.001 0.0009 0.0009
Schistosoma mansoni hypothetical protein 0.0015 0.005 0.0454
Echinococcus granulosus GPCR family 2 0.0015 0.005 0.0192
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.001 0.0009 0.0034
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.1333 1 1
Schistosoma mansoni calpain-7 (C02 family) 0.0019 0.0075 0.0678
Echinococcus multilocularis calpain A 0.0066 0.043 0.1637
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.027 0.2429
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0922 0.6897 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0044 0.027 0.2429
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.001 0.0009 0.0081
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.1333 1 1
Echinococcus granulosus calpain A 0.0066 0.043 0.1637
Brugia malayi Nuclear hormone receptor family member nhr-19 0.001 0.0009 0.0009
Brugia malayi Nuclear hormone receptor family member nhr-1 0.001 0.0009 0.0009
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.001 0.0009 0.0034
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.005 0.0192
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.005 0.0192
Loa Loa (eye worm) steroid hormone receptor 0.001 0.0009 0.0009
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.03 0.03
Schistosoma mansoni coup transcription factor 0.001 0.0009 0.0081
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0044 0.027 0.027
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.1333 1 0.5
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0066 0.043 0.1637
Onchocerca volvulus 0.001 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.0033 0.0184 0.0184
Loa Loa (eye worm) calpain 0.0019 0.0075 0.0075
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.001 0.0009 0.0009
Brugia malayi nuclear receptor NHR-88 0.001 0.0009 0.0009
Loa Loa (eye worm) hypothetical protein 0.001 0.0009 0.0009
Schistosoma mansoni thyroid hormone receptor 0.001 0.0009 0.0081
Toxoplasma gondii hypothetical protein 0.0009 0 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.001 0.0009 0.0009
Echinococcus granulosus calpain 0.0019 0.0075 0.0286
Loa Loa (eye worm) hypothetical protein 0.0072 0.0477 0.0477

Activities

Activity type Activity value Assay description Source Reference
MIC (functional) = 12.5 ug ml-1 Antifungal activity against Candida krusei ATCC 6258 after 48 hrs by serial dilution method ChEMBL. 17337097
MIC (functional) = 25 ug ml-1 Antifungal activity against Candida glabrata after 48 hrs by serial dilution method ChEMBL. 17337097
MIC (functional) = 50 ug ml-1 Antibacterial activity against Bacillus subtilis ATCC 6633 after 24 hrs by serial dilution method ChEMBL. 17337097
MIC (functional) = 50 ug ml-1 Antifungal activity against Candida albicans after 48 hrs by serial dilution method ChEMBL. 17337097
MIC (functional) = 50 ug ml-1 Antifungal activity against Candida albicans after 48 hrs by serial dilution method ChEMBL. 17337097
MIC (functional) = 100 ug ml-1 Antibacterial activity against Escherichia coli ATCC 23556 after 24 hrs by serial dilution method ChEMBL. 17337097
MIC (functional) = 100 ug ml-1 Antibacterial activity against Pseudomonas aeruginosa ATCC 10145 after 24 hrs by serial dilution method ChEMBL. 17337097
MIC (functional) = 100 ug ml-1 Antibacterial activity against Escherichia coli ATCC 23556 after 24 hrs by serial dilution method ChEMBL. 17337097
MIC (functional) = 200 ug ml-1 Antibacterial activity against Staphylococcus aureus ATCC 25923 after 24 hrs by serial dilution method ChEMBL. 17337097

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

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.