Detailed information for compound 1224174

Basic information

Technical information
  • TDR Targets ID: 1224174
  • Name: (2-ethylamino-2-oxoethyl) 2-oxo-1H-quinoline- 4-carboxylate
  • MW: 274.272 | Formula: C14H14N2O4
  • H donors: 2 H acceptors: 4 LogP: 1.73 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNC(=O)COC(=O)c1cc(O)nc2c1cccc2
  • InChi: 1S/C14H14N2O4/c1-2-15-13(18)8-20-14(19)10-7-12(17)16-11-6-4-3-5-9(10)11/h3-7H,2,8H2,1H3,(H,15,18)(H,16,17)
  • InChiKey: MKGMDJAGCRLJFL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • (2-ethylamino-2-oxo-ethyl) 2-oxo-1H-quinoline-4-carboxylate
  • 2-oxo-1H-quinoline-4-carboxylic acid (2-ethylamino-2-oxoethyl) ester
  • 2-keto-1H-quinoline-4-carboxylic acid (2-ethylamino-2-keto-ethyl) ester
  • MLS000565089
  • T0516-1834
  • ZINC03316640
  • SMR000152293

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 1, subfamily A, polypeptide 2 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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Cytochrome P450 family protein cytochrome P450, family 1, subfamily A, polypeptide 2 516 aa 470 aa 26.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0008 0.01 0.01
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.2979 0.2979
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.01 0.0495
Loa Loa (eye worm) G protein alpha subunit 3 0.0008 0.01 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0446 0.2215
Echinococcus granulosus tar DNA binding protein 0.0063 0.2979 0.2979
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0008 0.01 0.01
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0037 0.0184
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0068 0.3229 0.3229
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0926 0.4602
Toxoplasma gondii target of rapamycin (TOR), putative 0.0033 0.1409 0.4762
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.2013 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.1064 0.5286
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.2013 0.2013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.2013 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0008 0.01 0.01
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0008 0.01 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.1531 0.7603
Schistosoma mansoni cpg binding protein 0.0034 0.1436 0.1436
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0008 0.0101 0.0101
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2979 0.2979
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0037 0.0184
Loa Loa (eye worm) histone methyltransferase 0.001 0.0177 0.0177
Loa Loa (eye worm) hypothetical protein 0.0008 0.0101 0.0101
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0008 0.01 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.1237 0.6144
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.1531 0.7603
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0008 0.0101 0.0008
Trichomonas vaginalis helicase, putative 0.0007 0.0037 0.0184
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0015 0.0446 0.0446
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0926 0.4602
Brugia malayi TAR-binding protein 0.0063 0.2979 0.2979
Trichomonas vaginalis PIKK family atypical protein kinase 0.0008 0.0101 0.0503
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 1 1
Echinococcus multilocularis tar DNA binding protein 0.0063 0.2979 0.2979
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.1409 0.6999
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0008 0.01 0.01
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0015 0.0446 0.0446
Trypanosoma cruzi target of rapamycin kinase 3 0.0036 0.1533 0.7487
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0008 0.01 0.01
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0196 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.1409 0.6999
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0015 0.0446 0.1803
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.2013 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.2013 0.2013
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0008 0.0101 0.0101
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0008 0.01 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0928 0.4612
Schistosoma mansoni cpg binding protein 0.0034 0.1436 0.1436
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0008 0.01 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.1409 0.6999
Schistosoma mansoni fkbp-rapamycin associated protein 0.0008 0.0101 0.0101
Loa Loa (eye worm) hypothetical protein 0.0009 0.0152 0.0152
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0446 0.2215
Brugia malayi hypothetical protein 0.0008 0.01 0.01
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0008 0.01 0.01
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0009 0.0152 0.0186
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0928 0.4612
Echinococcus multilocularis serine protein kinase ATM 0.0008 0.0101 0.0101
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0008 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0009 0.0136 0.0136
Loa Loa (eye worm) CXXC zinc finger family protein 0.0032 0.134 0.134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0008 0.0101 0.0503
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0015 0.0446 0.0446
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0008 0.01 0.01
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0008 0.01 0.01
Echinococcus multilocularis cpg binding protein 0.0034 0.1436 0.1436
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0015 0.0446 0.1803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.2013 1
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0074 0.0074
Entamoeba histolytica protein kinase rad3, putative 0.0008 0.0101 0.0008
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0008 0.01 0.01
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0037 0.0184
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0074 0.0074
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0037 0.0184
Trichomonas vaginalis PIKK family atypical protein kinase 0.0012 0.0288 0.143
Onchocerca volvulus 0.0032 0.134 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.1531 0.7603
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0928 0.4612
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0446 0.2215
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.017 0.017
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0036 0.1533 0.6934
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.1186 0.5891
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.1531 0.7603
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0196 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.2979 0.2979
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0015 0.0446 0.1803
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.01 0.0495
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0008 0.01 0.0495
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0008 0.01 0.0495
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0008 0.01 0.0495
Brugia malayi RNA binding protein 0.0063 0.2979 0.2979
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0037 0.0184
Trichomonas vaginalis PIKK family atypical protein kinase 0.0038 0.1668 0.8287
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0008 0.01 0.01
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0008 0.01 0.01
Entamoeba histolytica hypothetical protein 0.0008 0.0101 0.0008
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.1064 0.5286
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0196 1 1
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0008 0.01 0.01
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.01 0.0495
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.1064 0.5286
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.1409 0.6999
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0015 0.0446 0.1803
Trichomonas vaginalis conserved hypothetical protein 0.0009 0.0152 0.0756
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.077 0.35
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0008 0.01 0.01
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0008 0.01 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.1531 0.7603
Loa Loa (eye worm) TAR-binding protein 0.0063 0.2979 0.2979
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.2013 1
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.2013 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2979 0.2979
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0196 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0008 0.0101 0.0101
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.2013 1
Loa Loa (eye worm) hypothetical protein 0.0008 0.01 0.01
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0008 0.01 0.0495
Echinococcus multilocularis expressed protein 0.0008 0.01 0.01
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0008 0.01 0.01
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0008 0.01 0.01
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.1409 0.6999
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0446 0.2215
Brugia malayi CXXC zinc finger family protein 0.0032 0.134 0.134
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0019 0.0635 0.279
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0008 0.01 0.0495
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0008 0.0101 0.0101
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0015 0.0446 0.0446
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0177 0.0177
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.2013 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0037 0.0184
Schistosoma mansoni GTP-binding protein alpha subunit 0.0008 0.01 0.01
Echinococcus granulosus serine protein kinase ATM 0.0008 0.0101 0.0101
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0037 0.0184
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0928 0.4612
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0037 0.0184
Loa Loa (eye worm) hypothetical protein 0.0008 0.01 0.01
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0074 0.0074
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2979 0.2979
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.2013 1
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0008 0.01 0.01
Toxoplasma gondii histone lysine methyltransferase SET1 0.006 0.2847 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0037 0.0184
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.2013 1
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0008 0.01 0.01
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0037 0.0184
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0196 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0926 0.4602
Trichomonas vaginalis PIKK family atypical protein kinase 0.0015 0.0446 0.2215
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.1409 0.6999
Echinococcus granulosus cpg binding protein 0.0034 0.1436 0.1436
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0008 0.0101 0.0101
Loa Loa (eye worm) RNA binding protein 0.0063 0.2979 0.2979
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0037 0.0184
Loa Loa (eye worm) hypothetical protein 0.0008 0.01 0.01
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0008 0.01 0.01
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0037 0.0184
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.1533 0.7487
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0008 0.01 0.01
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0008 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0008 0.01 0.01
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2979 0.2979
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.2013 0.2013
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0074 0.0074
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0008 0.01 0.01
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0196 1 1
Schistosoma mansoni tar DNA-binding protein 0.0063 0.2979 0.2979
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0037 0.0184
Brugia malayi G-protein alpha subunit 0.0008 0.01 0.01
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0008 0.01 0.01
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0037 0.0184
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.2013 0.2013
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0074 0.0074
Giardia lamblia GTOR 0.0045 0.2013 0.5
Echinococcus granulosus expressed protein 0.0008 0.01 0.01
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0037 0.0184
Trichomonas vaginalis PIKK family atypical protein kinase 0.0008 0.0101 0.0503
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0008 0.01 0.01
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0008 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0008 0.01 0.01
Schistosoma mansoni cpg binding protein 0.0032 0.134 0.134
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.105 0.5217
Trichomonas vaginalis PIKK family atypical protein kinase 0.0033 0.1409 0.6999
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0008 0.01 0.01
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0008 0.01 0.01
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0008 0.01 0.01
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0037 0.0184
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0177 0.0177
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0037 0.0184
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.2013 0.2013
Loa Loa (eye worm) phosphatidylinositol 3 0.0015 0.0446 0.0446
Trichomonas vaginalis PIKK family atypical protein kinase 0.0026 0.105 0.5217
Schistosoma mansoni GTP-binding protein alpha subunit 0.0008 0.01 0.01
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.2013 1
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0008 0.01 0.01

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 15.84893192 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] 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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