Detailed information for compound 1203434

Basic information

Technical information
  • TDR Targets ID: 1203434
  • Name: N-(1-phenylethyl)-2-propan-2-yl-1,3-benzoxazo le-6-carboxamide
  • MW: 308.374 | Formula: C19H20N2O2
  • H donors: 1 H acceptors: 2 LogP: 4.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)oc(n2)C(C)C)NC(c1ccccc1)C
  • InChi: 1S/C19H20N2O2/c1-12(2)19-21-16-10-9-15(11-17(16)23-19)18(22)20-13(3)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,20,22)
  • InChiKey: FHPNDMOMOPMPCM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-isopropyl-N-(1-phenylethyl)-1,3-benzoxazole-6-carboxamide
  • NCGC00133065-01
  • G706-1765

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 granulosus tar DNA binding protein 0.0062 0.4609 1
Loa Loa (eye worm) transcription factor SMAD2 0.012 1 1
Brugia malayi TAR-binding protein 0.0062 0.4609 0.4538
Loa Loa (eye worm) hypothetical protein 0.0025 0.1117 0.1117
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.4609 0.4538
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4609 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.1278 0.1278
Schistosoma mansoni lamin 0.0026 0.1278 0.2293
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0287 0.0622
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.1117 0.5
Echinococcus granulosus intermediate filament protein 0.0026 0.1278 0.2772
Echinococcus multilocularis lamin dm0 0.0026 0.1278 0.2772
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2997 0.627
Brugia malayi hypothetical protein 0.0025 0.1117 0.0998
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.3481 0.3395
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.1117 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.4609 0.4609
Brugia malayi intermediate filament protein 0.0026 0.1278 0.1162
Loa Loa (eye worm) hypothetical protein 0.005 0.3481 0.3481
Loa Loa (eye worm) intermediate filament protein 0.0026 0.1278 0.1278
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2997 0.6502
Loa Loa (eye worm) hypothetical protein 0.0034 0.2003 0.2003
Schistosoma mansoni hypothetical protein 0.0034 0.2003 0.397
Loa Loa (eye worm) MH2 domain-containing protein 0.012 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0287 0.0622
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2997 0.627
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.1117 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.2997 0.2997
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4609 1
Echinococcus granulosus lamin dm0 0.0026 0.1278 0.2772
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.2997 0.627
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2997 0.6502
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0287 0.0622
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0287 0.0158
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4609 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.3481 0.3395
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4609 1
Onchocerca volvulus 0.0026 0.1278 0.5
Loa Loa (eye worm) hypothetical protein 0.0026 0.1278 0.1278
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.2997 0.6502
Schistosoma mansoni intermediate filament proteins 0.0026 0.1278 0.2293
Loa Loa (eye worm) hypothetical protein 0.0026 0.1233 0.1233
Loa Loa (eye worm) TAR-binding protein 0.0062 0.4609 0.4609
Loa Loa (eye worm) hypothetical protein 0.0016 0.0287 0.0287
Brugia malayi hypothetical protein 0.0016 0.0298 0.0169
Echinococcus granulosus lamin 0.0026 0.1278 0.2772
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.1117 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0287 0.0622
Brugia malayi RNA binding protein 0.0062 0.4609 0.4538
Leishmania major hypothetical protein, conserved 0.0025 0.1117 0.5
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0014 0.0131 0.0131
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0287 0.0287
Echinococcus multilocularis lamin 0.0026 0.1278 0.2772
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.3481 0.3481
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.1278 0.1162
Schistosoma mansoni lamin 0.0026 0.1278 0.2293
Schistosoma mansoni tar DNA-binding protein 0.0062 0.4609 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.2997 0.2904
Echinococcus granulosus GPCR family 2 0.0016 0.0287 0.0622
Loa Loa (eye worm) RNA binding protein 0.0062 0.4609 0.4609
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.2997 0.6502
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.1117 0.5
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.1117 0.5
Onchocerca volvulus 0.0026 0.1278 0.5
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0287 0.0158
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.1117 0.5
Echinococcus multilocularis musashi 0.0026 0.1278 0.2772
Echinococcus multilocularis GPCR, family 2 0.0016 0.0287 0.0622
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.2003 0.1897
Echinococcus multilocularis tar DNA binding protein 0.0062 0.4609 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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

Bibliographic References

No literature references available for this target.

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