Detailed information for compound 1285507

Basic information

Technical information
  • TDR Targets ID: 1285507
  • Name: N-(2-methylbutan-2-yl)-9H-xanthene-9-carboxam ide
  • MW: 295.376 | Formula: C19H21NO2
  • H donors: 1 H acceptors: 1 LogP: 3.95 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(NC(=O)C1c2ccccc2Oc2c1cccc2)(C)C
  • InChi: 1S/C19H21NO2/c1-4-19(2,3)20-18(21)17-13-9-5-7-11-15(13)22-16-12-8-6-10-14(16)17/h5-12,17H,4H2,1-3H3,(H,20,21)
  • InChiKey: DGCVDIUTLQKERM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(1,1-dimethylpropyl)-9H-xanthene-9-carboxamide
  • N-tert-amyl-9H-xanthene-9-carboxamide
  • MLS000624979
  • SMR000293758
  • ZINC00620386
  • STK126800

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
Schistosoma mansoni choline/ethanolamine kinase 0.0033 0.0156 0.0159
Brugia malayi Choline/ethanolamine kinase family protein 0.0033 0.0156 0.0407
Plasmodium falciparum choline kinase 0.0343 0.3826 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0031 0.0129 0.0337
Brugia malayi Choline/ethanolamine kinase family protein 0.0343 0.3826 1
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0035 0.0181 0.0181
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0035 0.0181 0.0181
Schistosoma mansoni adapter molecule crk 0.0031 0.0129 0.0131
Plasmodium vivax choline kinase, putative 0.0343 0.3826 1
Schistosoma mansoni proto-oncogene tyrosine-protein kinase abl1 0.0031 0.0129 0.0131
Echinococcus multilocularis NCK adaptor protein 0.0031 0.0129 0.0129
Trichomonas vaginalis choline/ethanolamine kinase, putative 0.0033 0.0156 0.5
Brugia malayi Sex muscle abnormal protein 5 0.0031 0.0129 0.0337
Brugia malayi Variant SH3 domain containing protein 0.0031 0.0129 0.0337
Schistosoma mansoni tyrosine kinase 0.0848 0.9819 1
Brugia malayi Variant SH3 domain containing protein 0.0031 0.0129 0.0337
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0417 0.0417
Echinococcus granulosus tyrosine protein kinase Fyn 0.0035 0.0181 0.0181
Trypanosoma brucei choline kinase 0.0033 0.0156 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0417 0.0417
Onchocerca volvulus 0.0033 0.0156 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0024 0.0049 0.0128
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0417 0.109
Onchocerca volvulus Putative choline\/ethanolamine kinase 0.0033 0.0156 1
Loa Loa (eye worm) SRC-1 0.0035 0.0181 0.0473
Schistosoma mansoni development and differentiation-enhancing factor ddef 0.0024 0.0044 0.0045
Loa Loa (eye worm) choline/ethanolamine kinase 0.0343 0.3826 1
Schistosoma mansoni tyrosine kinase 0.0035 0.0181 0.0184
Echinococcus multilocularis arf GAP with SH3 domain, ANK repeat and PH 0.0024 0.0044 0.0044
Echinococcus granulosus tyrosine protein kinase Fyn 0.0035 0.0181 0.0181
Echinococcus granulosus ethanolamine kinase 2 0.0033 0.0156 0.0156
Echinococcus granulosus tyrosine protein kinase Src42A 0.0035 0.0181 0.0181
Schistosoma mansoni choline/ethanolamine kinase 0.0033 0.0156 0.0159
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0417 0.0425
Echinococcus multilocularis tyrosine protein kinase lyn tyrosine protein kinase blk 0.0035 0.0181 0.0181
Trypanosoma cruzi choline kinase 0.0033 0.0156 0.5
Trypanosoma brucei choline/ethanolamine kinase 0.0033 0.0156 0.5
Trypanosoma cruzi choline ethanolamine kinase, putative 0.0033 0.0156 0.5
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0035 0.0181 0.0181
Echinococcus granulosus tyrosine protein kinase Fyn 0.0035 0.0181 0.0181
Echinococcus granulosus tyrosine protein kinase Lyn 0.0035 0.0181 0.0181
Schistosoma mansoni tyrosine kinase 0.0035 0.0181 0.0184
Loa Loa (eye worm) hypothetical protein 0.0031 0.0129 0.0337
Loa Loa (eye worm) choline Kinase A 0.0033 0.0156 0.0407
Schistosoma mansoni proto-oncogene tyrosine-protein kinase src 0.0035 0.0181 0.0184
Echinococcus granulosus choline:ethanolamine kinase 0.0343 0.3826 0.3826
Entamoeba histolytica hypothetical protein 0.0024 0.0044 0.2856
Schistosoma mansoni vav2 0.0024 0.0049 0.005
Schistosoma mansoni nck2/grb4 0.0031 0.0129 0.0131
Echinococcus multilocularis choline:ethanolamine kinase 0.0343 0.3826 0.3826
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0417 0.0425
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0035 0.0181 0.0181
Schistosoma mansoni growth factor receptor-bound protein 0.0031 0.0129 0.0131
Loa Loa (eye worm) choline/ethanolamine kinase 0.0033 0.0156 0.0407
Giardia lamblia Ethanolamine kinase, putative 0.0033 0.0156 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0417 0.0417
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0033 0.0156 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0035 0.0181 0.0181
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0035 0.0181 0.0181
Toxoplasma gondii phosphotransferase enzyme family protein 0.0343 0.3826 1
Echinococcus multilocularis growth factor receptor bound protein 2 0.0031 0.0129 0.0129
Schistosoma mansoni tyrosine kinase 0.0035 0.0181 0.0184
Echinococcus granulosus c src tyrosine kinase 0.0035 0.0181 0.0181
Echinococcus granulosus growth factor receptor bound protein 2 0.0031 0.0129 0.0129
Echinococcus multilocularis tyrosine protein kinase Abl 0.0035 0.0181 0.0181
Loa Loa (eye worm) hypothetical protein 0.0033 0.0156 0.0407
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0035 0.0181 0.0181
Schistosoma mansoni growth factor receptor-bound protein 0.0031 0.0129 0.0131
Loa Loa (eye worm) sex muscle abnormal protein 5 0.0031 0.0129 0.0337
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0035 0.0181 0.0181
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0417 0.109
Echinococcus multilocularis ethanolamine kinase 2 0.0033 0.0156 0.0156
Brugia malayi Tyrosine-protein kinase abl-1 0.0035 0.0181 0.0473
Entamoeba histolytica choline/ethanolamine kinase, putative 0.0033 0.0156 1
Leishmania major choline/ethanolamine kinase, putative 0.0033 0.0156 0.5
Schistosoma mansoni tyrosine kinase 0.0035 0.0181 0.0184
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0035 0.0181 0.0181
Brugia malayi Choline/ethanolamine kinase family protein 0.0033 0.0156 0.0407
Loa Loa (eye worm) hypothetical protein 0.0024 0.0049 0.0128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0417 0.0425
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0417 0.0417
Leishmania major choline kinase 0.0033 0.0156 0.5
Brugia malayi Variant SH3 domain containing protein 0.0024 0.0049 0.0128
Schistosoma mansoni choline kinase 0.0033 0.0156 0.0159
Echinococcus granulosus tyrosine protein kinase Src64B 0.0035 0.0181 0.0181
Echinococcus multilocularis c src tyrosine kinase 0.0035 0.0181 0.0181
Echinococcus granulosus arf GAP with SH3 domain ANK repeat and PH 0.0024 0.0044 0.0044
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0035 0.0181 0.0181
Echinococcus granulosus NCK adaptor protein 0.0031 0.0129 0.0129
Brugia malayi SRC-1 0.0035 0.0181 0.0473

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 25.1189 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
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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