Detailed information for compound 1412516

Basic information

Technical information
  • TDR Targets ID: 1412516
  • Name: 4-(2-methylpropyl)-1,3-oxazolidin-2-one
  • MW: 143.184 | Formula: C7H13NO2
  • H donors: 1 H acceptors: 1 LogP: 1.47 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(CC1COC(=O)N1)C
  • InChi: 1S/C7H13NO2/c1-5(2)3-6-4-10-7(9)8-6/h5-6H,3-4H2,1-2H3,(H,8,9)
  • InChiKey: QQOAHLJDKWZJPD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-isobutyloxazolidin-2-one
  • 4-isobutyl-2-oxazolidinone

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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 rac gtpase activating protein 0.0192 0.0864 0.0844
Schistosoma mansoni serine/threonine protein kinase 0.1761 1 1
Echinococcus multilocularis serine threonine protein kinase 0.1569 0.888 0.8877
Entamoeba histolytica diacylglycerol kinase, putative 0.0192 0.0864 0.6414
Brugia malayi diacylglycerol kinase 0.0192 0.0864 0.0999
Echinococcus granulosus cyclin dependent kinase 0.0051 0.0042 0.002
Trichomonas vaginalis AGC family protein kinase 0.0274 0.1337 1
Loa Loa (eye worm) variant SH3 domain-containing protein 0.0192 0.0864 0.1057
Entamoeba histolytica p21-activated kinase 0.0055 0.0065 0.0345
Trichomonas vaginalis AGC family protein kinase 0.0274 0.1337 1
Schistosoma mansoni serine/threonine protein kinase 0.0192 0.0864 0.0844
Entamoeba histolytica protein kinase, putative 0.0274 0.1337 1
Trichomonas vaginalis STE family protein kinase 0.0055 0.0065 0.0323
Giardia lamblia Kinase, STE STE20 0.0055 0.0065 1
Loa Loa (eye worm) AGC/PKC/ETA protein kinase 0.0506 0.269 0.3291
Loa Loa (eye worm) hypothetical protein 0.0192 0.0864 0.1057
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.0518 0.2762 0.2746
Entamoeba histolytica cell division protein kinase 2, putative 0.0051 0.0042 0.0177
Trypanosoma cruzi cdc2-related kinase 1 0.0051 0.0042 0.5
Echinococcus granulosus Rac GTPase activating protein 1 0.0192 0.0864 0.0844
Schistosoma mansoni unc-13 (munc13) 0.0232 0.1097 0.1077
Schistosoma mansoni serine/threonine protein kinase 0.1761 1 1
Loa Loa (eye worm) CMGC/CDK/CDK5 protein kinase 0.0051 0.0042 0.0052
Loa Loa (eye worm) AGC/PKC/IOTA protein kinase 0.02 0.0907 0.1109
Trichomonas vaginalis STE family protein kinase 0.0055 0.0065 0.0323
Echinococcus multilocularis Protein kinase C, brain isozyme 0.1761 1 1
Echinococcus granulosus protein kinase c iota type 0.0466 0.2457 0.2441
Loa Loa (eye worm) hypothetical protein 0.0192 0.0864 0.1057
Echinococcus multilocularis serine:threonine protein kinase 38 0.0274 0.1337 0.1318
Echinococcus multilocularis unc 13 (munc13) 0.0232 0.1097 0.1077
Brugia malayi protein kinase C3,putative 0.02 0.0907 0.105
Echinococcus multilocularis cyclin dependent kinase 1 0.0051 0.0042 0.002
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0055 0.0065 0.0043
Echinococcus granulosus ribosomal protein S6 kinase alpha 3 0.0274 0.1337 0.1318
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0055 0.0065 0.0043
Echinococcus granulosus serine:threonine protein kinase N2 0.0274 0.1337 0.1318
Entamoeba histolytica protein kinase, putative 0.0274 0.1337 1
Echinococcus granulosus Serine/threonine-protein kinase Genghis Khan 0.02 0.0907 0.0887
Toxoplasma gondii diacylglycerol kinase, putative 0.0192 0.0864 0.635
Brugia malayi Hr1 repeat family protein 0.0274 0.1337 0.156
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0042 0.002
Echinococcus granulosus cyclin dependent kinase 1 0.0051 0.0042 0.002
Entamoeba histolytica hypothetical protein 0.0048 0.0022 0.0023
Echinococcus multilocularis PAK box P21 Rho binding 0.0055 0.0065 0.0043
Brugia malayi Phorbol esters/diacylglycerol binding domain 0.02 0.0907 0.105
Trichomonas vaginalis STE family protein kinase 0.0055 0.0065 0.0323
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0055 0.0065 0.0043
Brugia malayi protein kinase C II. 0.0506 0.269 0.3166
Echinococcus granulosus protein kinase c eta type 0.0192 0.0864 0.0844
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0192 0.0864 0.0844
Loa Loa (eye worm) hypothetical protein 0.0192 0.0864 0.1057
Schistosoma mansoni unc-13 (munc13) 0.0232 0.1097 0.1077
Echinococcus multilocularis Ribosomal protein S6 kinase beta 2 0.0274 0.1337 0.1318
Trichomonas vaginalis serine/threonine-protein kinase sgk, putative 0.0266 0.1294 0.9677
Echinococcus multilocularis myotubularin protein 13 0.0192 0.0864 0.0844
Trichomonas vaginalis AGC family protein kinase 0.0274 0.1337 1
Loa Loa (eye worm) hypothetical protein 0.0192 0.0864 0.1057
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0055 0.0065 0.0043
Loa Loa (eye worm) AGC/RSK/P70 protein kinase 0.0274 0.1337 0.1636
Trichomonas vaginalis AGC family protein kinase 0.0274 0.1337 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0042 0.0154
Trichomonas vaginalis AGC family protein kinase 0.0274 0.1337 1
Schistosoma mansoni serine/threonine protein kinase 0.02 0.0907 0.0887
Trichomonas vaginalis AGC family protein kinase 0.0274 0.1337 1
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0051 0.0042 0.0052
Brugia malayi Protein kinase domain containing protein 0.0274 0.1337 0.156
Echinococcus granulosus Diacylglycerol kinase theta 0.0192 0.0864 0.0844
Loa Loa (eye worm) AGC/DMPK/GEK protein kinase 0.0274 0.1337 0.1636
Schistosoma mansoni protein kinase C 0.0232 0.1097 0.1077
Echinococcus granulosus Ribosomal protein S6 kinase beta 2 0.0274 0.1337 0.1318
Loa Loa (eye worm) raf kinase 0.0192 0.0864 0.1057
Echinococcus granulosus raf serine:threonine protein kinase 0.0192 0.0864 0.0844
Schistosoma mansoni vav2 0.0192 0.0864 0.0844
Trichomonas vaginalis AGC family protein kinase 0.0274 0.1337 1
Schistosoma mansoni serine/threonine protein kinase 0.02 0.0907 0.0887
Brugia malayi serine/threonine-protein kinase PAK 7 0.0566 0.304 0.3582
Brugia malayi Protein kinase domain containing protein 0.0274 0.1337 0.156
Loa Loa (eye worm) hypothetical protein 0.0274 0.1337 0.1636
Echinococcus multilocularis serine:threonine protein kinase N2 0.0274 0.1337 0.1318
Loa Loa (eye worm) AGC/NDR protein kinase 0.0274 0.1337 0.1636
Loa Loa (eye worm) hypothetical protein 0.0192 0.0864 0.1057
Schistosoma mansoni serine/threonine protein kinase 0.0274 0.1337 0.1318
Loa Loa (eye worm) RhoGAP domain-containing protein 0.0192 0.0864 0.1057
Entamoeba histolytica protein kinase, putative 0.0274 0.1337 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0042 0.0154
Schistosoma mansoni diacylglycerol kinase theta 0.0192 0.0864 0.0844
Brugia malayi Ras association domain family 1 isoform A 0.0192 0.0864 0.0999
Entamoeba histolytica cell division protein kinase 2, putative 0.0051 0.0042 0.0177
Loa Loa (eye worm) AGC/AKT protein kinase 0.0274 0.1337 0.1636
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0042 0.002
Schistosoma mansoni serine/threonine protein kinase 0.0506 0.269 0.2674
Echinococcus granulosus N chimaerin 0.0192 0.0864 0.0844
Entamoeba histolytica protein kinase, putative 0.0055 0.0065 0.0345
Loa Loa (eye worm) P21-Rho-binding domain-containing protein 0.0048 0.0022 0.0027
Leishmania major cell division protein kinase 2,cdc2-related kinase 0.0051 0.0042 0.5
Entamoeba histolytica protein kinase, putative 0.0055 0.0065 0.0345
Loa Loa (eye worm) CMGC/CDK/CDC2 protein kinase 0.0051 0.0042 0.0052
Loa Loa (eye worm) hypothetical protein 0.0192 0.0864 0.1057
Echinococcus multilocularis N chimaerin 0.0192 0.0864 0.0844
Brugia malayi RhoGAP domain containing protein 0.0192 0.0864 0.0999
Loa Loa (eye worm) AGC/PKC/ALPHA protein kinase 0.1302 0.7329 0.8966
Echinococcus granulosus protein kinase C gamma type 0.1569 0.888 0.8877
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0055 0.0065 0.0043
Brugia malayi Protein kinase domain containing protein 0.0274 0.1337 0.156
Schistosoma mansoni protein kinase 0.0055 0.0065 0.0043
Plasmodium falciparum protein kinase 5 0.0051 0.0042 0.5
Echinococcus multilocularis cyclin dependent kinase 5 0.0051 0.0042 0.002
Echinococcus multilocularis raf serine:threonine protein kinase 0.0192 0.0864 0.0844
Loa Loa (eye worm) hypothetical protein 0.1255 0.7054 0.8629
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0042 0.0154
Brugia malayi RhoGEF domain containing protein 0.0192 0.0864 0.0999
Schistosoma mansoni atypical protein kinase C 0.0466 0.2457 0.2441
Schistosoma mansoni serine/threonine protein kinase 0.0274 0.1337 0.1318
Echinococcus multilocularis ribosomal protein s6 kinase beta 1 0.0274 0.1337 0.1318
Schistosoma mansoni diacylglycerol kinase theta 0.0192 0.0864 0.0844
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0055 0.0065 0.0043
Schistosoma mansoni protein kinase C mu 0.0192 0.0864 0.0844
Echinococcus multilocularis ribosomal protein S6 kinase alpha 3 0.0274 0.1337 0.1318
Brugia malayi Protein kinase domain containing protein 0.0051 0.0042 0.0024
Loa Loa (eye worm) hypothetical protein 0.1447 0.8174 1
Entamoeba histolytica hypothetical protein 0.0048 0.0022 0.0023
Trichomonas vaginalis AGC family protein kinase 0.0274 0.1337 1
Schistosoma mansoni protein kinase 0.0055 0.0065 0.0043
Loa Loa (eye worm) hypothetical protein 0.0192 0.0864 0.1057
Brugia malayi p70 ribosomal S6 kinase beta 0.0274 0.1337 0.156
Onchocerca volvulus 0.0232 0.1097 1
Echinococcus multilocularis guanine nucleotide exchange factor VAV2 0.0192 0.0864 0.0844
Brugia malayi Protein kinase c protein 2 0.1495 0.8449 1
Echinococcus multilocularis Diacylglycerol kinase theta 0.0192 0.0864 0.0844
Trypanosoma brucei rac serine-threonine kinase, putative 0.0274 0.1337 1
Echinococcus multilocularis serine:threonine protein kinase N2 0.0274 0.1337 0.1318
Echinococcus multilocularis protein kinase c eta type 0.0192 0.0864 0.0844
Loa Loa (eye worm) RasGEF domain-containing protein 0.0192 0.0864 0.1057
Echinococcus granulosus 5'partial|cyclin dependent kinase 1 0.0051 0.0042 0.002
Trichomonas vaginalis AGC family protein kinase 0.0274 0.1337 1
Echinococcus granulosus guanine nucleotide exchange factor VAV2 0.0192 0.0864 0.0844
Echinococcus multilocularis protein kinase c epsilon type 0.0506 0.269 0.2674
Echinococcus granulosus unc 13 munc13 0.0232 0.1097 0.1077
Entamoeba histolytica protein kinase, putative 0.0274 0.1337 1
Loa Loa (eye worm) hypothetical protein 0.0232 0.1097 0.1342
Echinococcus granulosus ribosomal protein s6 kinase beta 1 0.0274 0.1337 0.1318
Trypanosoma cruzi cdc2-related kinase 3 0.0051 0.0042 0.5
Loa Loa (eye worm) Ras association domain family 1 isoform A 0.0192 0.0864 0.1057
Brugia malayi cell division control protein 2 homolog 0.0051 0.0042 0.0024
Toxoplasma gondii AGC kinase 0.0274 0.1337 1
Plasmodium vivax protein kinase Crk2 0.0051 0.0042 0.5
Brugia malayi diacylglycerol kinase 0.0192 0.0864 0.0999
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0566 0.304 0.3719
Entamoeba histolytica hypothetical protein 0.0192 0.0864 0.6414
Loa Loa (eye worm) hypothetical protein 0.0192 0.0864 0.1057
Brugia malayi Pleckstrin Homology Domain 0.0192 0.0864 0.0999
Echinococcus granulosus C2 calcium dependent membrane targeting 0.0232 0.1097 0.1077
Schistosoma mansoni chimerin-related rho-gtpase-activating protein 0.0192 0.0864 0.0844
Echinococcus multilocularis C2 calcium dependent membrane targeting 0.0232 0.1097 0.1077
Trichomonas vaginalis AGC family protein kinase 0.0274 0.1337 1
Trypanosoma cruzi cdc2-related kinase 1 0.0051 0.0042 0.5
Trypanosoma cruzi cdc2-related kinase 3 0.0051 0.0042 0.5
Brugia malayi Protein kinase domain 0.0055 0.0065 0.005
Echinococcus granulosus myotubularin protein 13 0.0192 0.0864 0.0844
Schistosoma mansoni protein kinase 0.0055 0.0065 0.0043
Echinococcus granulosus cyclin dependent kinase 5 0.0051 0.0042 0.002
Schistosoma mansoni protein kinase C mu 0.02 0.0907 0.0887
Echinococcus granulosus RNA directed DNA polymerase 0.1255 0.7054 0.7047
Echinococcus multilocularis cyclin dependent kinase 1 0.0051 0.0042 0.002
Echinococcus multilocularis cyclin dependent kinase 0.0051 0.0042 0.002
Loa Loa (eye worm) hypothetical protein 0.0048 0.0022 0.0027
Loa Loa (eye worm) CAMK/PKD protein kinase 0.02 0.0907 0.1109
Echinococcus granulosus protein kinase c epsilon type 0.0506 0.269 0.2674
Loa Loa (eye worm) AGC/PKN protein kinase 0.0274 0.1337 0.1636
Schistosoma mansoni serine/threonine protein kinase 0.0274 0.1337 0.1318
Entamoeba histolytica protein kinase, putative 0.0055 0.0065 0.0345
Echinococcus multilocularis RNA directed DNA polymerase 0.1255 0.7054 0.7047
Entamoeba histolytica diacylglycerol kinase, putative 0.0192 0.0864 0.6414
Trichomonas vaginalis AGC family protein kinase 0.0274 0.1337 1
Schistosoma mansoni serine/threonine kinase 0.0274 0.1337 0.1318
Echinococcus multilocularis Rac GTPase activating protein 1 0.0192 0.0864 0.0844
Leishmania major cell division related protein kinase 2,cdc2-related kinase 0.0051 0.0042 0.5
Brugia malayi C1-like domain containing protein 0.02 0.0907 0.105
Brugia malayi Protein kinase domain containing protein 0.02 0.0907 0.105
Loa Loa (eye worm) AGC/RSK/RSK protein kinase 0.0274 0.1337 0.1636
Loa Loa (eye worm) hypothetical protein 0.0192 0.0864 0.1057
Brugia malayi RhoGAP domain containing protein 0.0192 0.0864 0.0999
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1362 0.5
Brugia malayi Variant SH3 domain containing protein 0.0192 0.0864 0.0999
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.1255 0.7054 0.7047
Echinococcus multilocularis serine:threonine protein kinase MRCK beta 0.02 0.0907 0.0887
Entamoeba histolytica protein kinase, putative 0.0055 0.0065 0.0345
Loa Loa (eye worm) hypothetical protein 0.0192 0.0864 0.1057
Loa Loa (eye worm) AGC/RSK/MSK protein kinase 0.0274 0.1337 0.1636
Echinococcus granulosus NDR protein kinase 0.0274 0.1337 0.1318
Schistosoma mansoni hypothetical protein 0.0192 0.0864 0.0844
Schistosoma mansoni serine/threonine protein kinase 0.0274 0.1337 0.1318
Echinococcus multilocularis protein kinase c iota type 0.0466 0.2457 0.2441
Trichomonas vaginalis STE family protein kinase 0.0055 0.0065 0.0323
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.0518 0.2762 0.2746
Trichomonas vaginalis STE family protein kinase 0.0055 0.0065 0.0323

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 10 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) 31.6228 uM PubChem BioAssay. qHTS for Agonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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