Detailed information for compound 1341740

Basic information

Technical information
  • TDR Targets ID: 1341740
  • Name: N-butyl-4-[4-(2,3-dihydroindol-1-ylmethyl)-5- methyl-1,3-oxazol-2-yl]benzamide
  • MW: 389.49 | Formula: C24H27N3O2
  • H donors: 1 H acceptors: 2 LogP: 4.61 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC(=O)c1ccc(cc1)c1nc(c(o1)C)CN1CCc2c1cccc2
  • InChi: 1S/C24H27N3O2/c1-3-4-14-25-23(28)19-9-11-20(12-10-19)24-26-21(17(2)29-24)16-27-15-13-18-7-5-6-8-22(18)27/h5-12H,3-4,13-16H2,1-2H3,(H,25,28)
  • InChiKey: JWAMVCHRLNTNOS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-butyl-4-[4-(indolin-1-ylmethyl)-5-methyl-oxazol-2-yl]benzamide
  • N-butyl-4-[4-(1-indolinylmethyl)-5-methyl-2-oxazolyl]benzamide
  • G659-0842
  • NCGC00132842-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens tumor protein p53 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni thyroid hormone receptor 0.0164 0.3758 1
Schistosoma mansoni cellular tumor antigen P53 0.006 0.1082 0.2802
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0607 0.4015
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0387 0.2561
Loa Loa (eye worm) hypothetical protein 0.006 0.1095 0.724
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.3446 0.3419
Schistosoma mansoni lamin 0.0033 0.0387 0.0931
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1095 0.724
Echinococcus multilocularis lamin 0.0033 0.0387 0.0348
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1095 0.724
Loa Loa (eye worm) RNA binding protein 0.0076 0.1512 1
Schistosoma mansoni hypothetical protein 0.0152 0.3446 0.9159
Echinococcus granulosus lamin 0.0033 0.0387 0.0348
Brugia malayi TAR-binding protein 0.0076 0.1512 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0041 0.0271
Schistosoma mansoni hypothetical protein 0.0041 0.0607 0.1523
Onchocerca volvulus 0.006 0.1082 1
Echinococcus granulosus lamin dm0 0.0033 0.0387 0.0348
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.1512 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1512 0.3957
Loa Loa (eye worm) hypothetical protein 0.0033 0.0387 0.2561
Loa Loa (eye worm) hypothetical protein 0.0041 0.0607 0.4015
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1095 0.724
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0041 0.0271
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.1512 1
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0387 0.2561
Echinococcus multilocularis lamin dm0 0.0033 0.0387 0.0348
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1512 0.3957
Schistosoma mansoni lamin 0.0033 0.0387 0.0931
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1512 0.3957
Brugia malayi intermediate filament protein 0.0033 0.0387 0.2561
Brugia malayi RNA binding protein 0.0076 0.1512 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0041 0.0271
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0387 0.2561
Echinococcus granulosus intermediate filament protein 0.0033 0.0387 0.0348
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0041 0.0271
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1512 0.3957
Loa Loa (eye worm) hypothetical protein 0.0032 0.0372 0.246
Echinococcus multilocularis tar DNA binding protein 0.0076 0.1512 0.1477
Echinococcus granulosus tar DNA binding protein 0.0076 0.1512 0.1477
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.3446 0.3419
Loa Loa (eye worm) TAR-binding protein 0.0076 0.1512 1
Schistosoma mansoni thyroid hormone receptor 0.0164 0.3758 1
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.1512 0.3957
Schistosoma mansoni intermediate filament proteins 0.0033 0.0387 0.0931
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.3758 0.3732
Loa Loa (eye worm) hypothetical protein 0.006 0.1082 0.716
Echinococcus multilocularis musashi 0.0033 0.0387 0.0348

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0158 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] 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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