Detailed information for compound 1267667

Basic information

Technical information
  • TDR Targets ID: 1267667
  • Name: N-[3-(3,3-dichloroprop-2-enyl)-2-methyl-4-oxo -1H-quinolin-6-yl]acetamide
  • MW: 325.19 | Formula: C15H14Cl2N2O2
  • H donors: 2 H acceptors: 3 LogP: 3.6 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc2c(c1)c(O)c(c(n2)C)CC=C(Cl)Cl
  • InChi: 1S/C15H14Cl2N2O2/c1-8-11(4-6-14(16)17)15(21)12-7-10(19-9(2)20)3-5-13(12)18-8/h3,5-7H,4H2,1-2H3,(H,18,21)(H,19,20)
  • InChiKey: WZHZDGYHPYPHIQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3-(3,3-dichloroprop-2-enyl)-4-keto-2-methyl-1H-quinolin-6-yl]acetamide
  • N-[3-(3,3-dichloroprop-2-enyl)-2-methyl-4-oxo-1H-quinolin-6-yl]ethanamide
  • SMR000135430
  • STOCK2S-00693
  • N-[3-(3,3-dichloro-2-propen-1-yl)-4-hydroxy-2-methyl-6-quinolinyl]acetamide
  • MLS000530452
  • ZINC04608402

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens prion protein Starlite/ChEMBL No references

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 multilocularis serine:threonine protein kinase PAK 3 0.0018 0.0168 0.0376
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0164 0.3398 0.3364
Loa Loa (eye worm) AUR protein kinase 0.0059 0.1078 0.1033
Schistosoma mansoni serine/threonine protein kinase 0.0164 0.3398 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0104 0.0054
Schistosoma mansoni tyrosine kinase 0.0019 0.0193 0.047
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.0172 0.3576 1
Brugia malayi Protein kinase domain containing protein 0.0164 0.3398 0.3315
Brugia malayi serine/threonine protein kinase 6 0.0059 0.1078 0.0966
Loa Loa (eye worm) P21-Rho-binding domain-containing protein 0.0016 0.0123 0.0074
Schistosoma mansoni tyrosine kinase 0.0081 0.1558 0.453
Schistosoma mansoni serine/threonine protein kinase 0.015 0.309 0.9086
Leishmania major protein kinase, putative 0.0059 0.1078 1
Entamoeba histolytica p21-activated kinase 0.0018 0.0168 0.0472
Echinococcus multilocularis PAK box P21 Rho binding 0.0018 0.0168 0.0376
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0051 0.0889 0.0843
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0164 0.3398 0.3315
Giardia lamblia Aurora kinase 0.0059 0.1078 1
Entamoeba histolytica hypothetical protein 0.0043 0.0731 0.6369
Schistosoma mansoni tyrosine kinase 0.0084 0.1628 0.4738
Trichomonas vaginalis AGC family protein kinase 0.0059 0.1078 1
Toxoplasma gondii aurora kinase 0.0059 0.1078 1
Loa Loa (eye worm) CMGC/GSK protein kinase 0.0051 0.0889 0.0843
Brugia malayi intracellular kinase 0.0051 0.0889 0.0775
Entamoeba histolytica serine/threonine- protein kinase 6, putative 0.0059 0.1078 1
Echinococcus granulosus roundabout 2 0.0015 0.0104 0.029
Loa Loa (eye worm) TK/EGFR protein kinase 0.0154 0.3183 0.3149
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0059 0.1078 0.2944
Entamoeba histolytica protein kinase, putative 0.0018 0.0168 0.0472
Echinococcus granulosus neuroglian 0.0012 0.0035 0.0099
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0018 0.0168 0.0471
Entamoeba histolytica protein kinase, putative 0.0051 0.0889 0.8026
Brugia malayi Protein kinase domain containing protein 0.0051 0.0897 0.0783
Echinococcus multilocularis PAK box P21 Rho binding 0.0016 0.0123 0.0249
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0018 0.0168 0.0471
Schistosoma mansoni tyrosine kinase 0.0051 0.0897 0.2562
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0164 0.3398 0.3364
Loa Loa (eye worm) hypothetical protein 0.0015 0.0104 0.0054
Entamoeba histolytica protein kinase, putative 0.0018 0.0168 0.0472
Echinococcus granulosus twitchin 0.0014 0.008 0.0224
Schistosoma mansoni protein kinase 0.0018 0.0168 0.0396
Loa Loa (eye worm) TK/INSR protein kinase 0.0051 0.0897 0.0851
Echinococcus granulosus rho-associated protein kinase 1 0.015 0.309 0.8642
Echinococcus granulosus glycogen synthase kinase 3 beta 0.0051 0.0889 0.2487
Entamoeba histolytica hypothetical protein 0.0043 0.0731 0.6369
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0164 0.3398 0.9501
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0018 0.0168 0.0471
Trichomonas vaginalis AGC family protein kinase 0.0059 0.1078 1
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0018 0.0168 0.0376
Echinococcus granulosus insulin growth factor 1 receptor beta 0.0051 0.0897 0.2507
Entamoeba histolytica hypothetical protein 0.0043 0.0731 0.6369
Echinococcus multilocularis aurora kinase A 0.0059 0.1078 0.2944
Loa Loa (eye worm) AUR protein kinase 0.0059 0.1078 0.1033
Echinococcus multilocularis insulin receptor 0.0051 0.0897 0.2433
Echinococcus granulosus protein kinase shaggy 0.0051 0.0889 0.2487
Schistosoma mansoni cell adhesion molecule 0.0013 0.005 0.0044
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0164 0.3398 0.9496
Brugia malayi serine/threonine-protein kinase 6 0.0059 0.1078 0.0966
Schistosoma mansoni tyrosine kinase 0.0081 0.1558 0.453
Trypanosoma cruzi aurora B kinase, putative 0.0059 0.1078 1
Schistosoma mansoni protein kinase 0.0016 0.0123 0.0262
Echinococcus granulosus epidermal growth factor receptor 0.0154 0.3183 0.8901
Onchocerca volvulus 0.015 0.309 0.8775
Trichomonas vaginalis AGC family protein kinase 0.0059 0.1078 1
Trichomonas vaginalis STE family protein kinase 0.0018 0.0168 0.0472
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0059 0.1078 0.3014
Onchocerca volvulus 0.0148 0.3045 0.8595
Trichomonas vaginalis STE family protein kinase 0.0018 0.0168 0.0472
Schistosoma mansoni wiskott-aldrich syndrome protein 0.0016 0.0123 0.0262
Echinococcus multilocularis insulin growth factor 1 receptor beta 0.0051 0.0897 0.2433
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0164 0.3398 1
Brugia malayi Protein kinase domain 0.0018 0.0168 0.0046
Echinococcus multilocularis epidermal growth factor receptor 0.0154 0.3183 0.889
Trichomonas vaginalis STE family protein kinase 0.0018 0.0168 0.0472
Echinococcus granulosus 3'partial|serine:threonine protein kinase PAK 2 0.0016 0.0123 0.0345
Schistosoma mansoni protein kinase 0.0059 0.1078 0.31
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0731 0.207
Entamoeba histolytica protein kinase, putative 0.0059 0.1078 1
Onchocerca volvulus Tyrosine kinase homolog 0.0146 0.3005 0.8435
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.0172 0.3576 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0013 0.005 0.014
Brugia malayi serine/threonine-protein kinase PAK 7 0.0188 0.3927 0.3851
Echinococcus multilocularis roundabout 2 0.0015 0.0104 0.0193
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0188 0.3927 0.3897
Echinococcus multilocularis rho associated protein kinase 0.015 0.309 0.8628
Echinococcus multilocularis protein kinase shaggy 0.0051 0.0889 0.2412
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0463 1 1
Schistosoma mansoni tyrosine kinase 0.0051 0.0897 0.2562
Echinococcus multilocularis neural Wiskott Aldrich syndrome protein 0.0016 0.0123 0.0249
Brugia malayi Immunoglobulin I-set domain containing protein 0.0157 0.3229 0.3145
Entamoeba histolytica protein kinase, putative 0.0059 0.1078 1
Echinococcus granulosus melanoma receptor tyrosine protein kinase 0.0084 0.1628 0.4553
Echinococcus multilocularis glycogen synthase kinase 3 beta 0.0051 0.0889 0.2412
Entamoeba histolytica protein kinase, putative 0.0018 0.0168 0.0472
Brugia malayi serine/threonine kinase 12 0.0059 0.1078 0.0966
Entamoeba histolytica protein kinase domain containing protein 0.0051 0.0889 0.8026
Brugia malayi Furin-like cysteine rich region family protein 0.0154 0.3183 0.3098
Entamoeba histolytica protein kinase, putative 0.0018 0.0168 0.0472
Entamoeba histolytica protein kinase domain containing protein 0.0051 0.0889 0.8026
Echinococcus granulosus PAK box P21 Rho binding 0.0016 0.0123 0.0345
Schistosoma mansoni serine/threonine protein kinase 0.0059 0.1078 0.31
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0059 0.1078 1
Brugia malayi hypothetical protein 0.0043 0.0731 0.0615
Schistosoma mansoni hypothetical protein 0.0043 0.0731 0.207
Entamoeba histolytica protein kinase domain containing protein 0.0059 0.1078 1
Plasmodium falciparum serine/threonine protein kinase, putative 0.0059 0.1078 1
Entamoeba histolytica serine/threonine protein kinase 6, putative 0.0059 0.1078 1
Entamoeba histolytica hypothetical protein 0.0043 0.0731 0.6369
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0731 0.1966
Entamoeba histolytica serine/threonine- protein kinase 6 , putative 0.0059 0.1078 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0889 0.8026
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0889 0.8026
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0018 0.0168 0.0376
Loa Loa (eye worm) hypothetical protein 0.0016 0.0123 0.0074
Trypanosoma brucei aurora B kinase 0.0059 0.1078 1
Schistosoma mansoni hypothetical protein 0.0016 0.0123 0.0262
Schistosoma mansoni protein kinase 0.0018 0.0168 0.0396
Schistosoma mansoni glycogen synthase kinase 3-related (gsk3) (cmgc group III) 0.0051 0.0889 0.254
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0193 0.047
Echinococcus multilocularis epidermal growth factor receptor 0.0084 0.1628 0.4499
Onchocerca volvulus 0.0141 0.2882 0.7943
Schistosoma mansoni hypothetical protein 0.0016 0.0123 0.0262
Giardia lamblia Kinase, CMGC GSK 0.0051 0.0889 0.7928
Echinococcus granulosus epidermal growth factor receptor 0.0084 0.1628 0.4553
Schistosoma mansoni hypothetical protein 0.0016 0.0123 0.0262
Echinococcus granulosus neural Wiskott Aldrich syndrome protein 0.0016 0.0123 0.0345
Entamoeba histolytica protein kinase , putative 0.0059 0.1078 1
Trichomonas vaginalis STE family protein kinase 0.0018 0.0168 0.0472
Echinococcus granulosus aurora kinase A 0.0059 0.1078 0.3014
Echinococcus granulosus insulin receptor 0.0051 0.0897 0.2507
Trichomonas vaginalis STE family protein kinase 0.0018 0.0168 0.0472
Schistosoma mansoni tyrosine kinase 0.0084 0.1628 0.4738
Giardia lamblia Kinase, CMGC GSK 0.0051 0.0889 0.7928
Echinococcus multilocularis 0.0047 0.0812 0.2194
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0157 0.3229 0.3195
Schistosoma mansoni tyrosine kinase 0.0081 0.1558 0.453
Loa Loa (eye worm) AUR protein kinase 0.0059 0.1078 0.1033
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0731 0.2045
Schistosoma mansoni tyrosine kinase 0.0154 0.3183 0.9362
Trichomonas vaginalis AGC family protein kinase 0.0059 0.1078 1
Schistosoma mansoni protein kinase 0.0018 0.0168 0.0396

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 10.204 uM PubChem BioAssay. TRFRET-based cell-based high throughput dose response assay to identify inhibitors of cell surface Prion Protein (PRPC). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.8356 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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