Detailed information for compound 1190257

Basic information

Technical information
  • TDR Targets ID: 1190257
  • Name: N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quino line-6-sulfonamide
  • MW: 320.339 | Formula: C15H13FN2O3S
  • H donors: 2 H acceptors: 3 LogP: 1.69 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1CCc2c(N1)ccc(c2)S(=O)(=O)Nc1ccc(cc1)F
  • InChi: 1S/C15H13FN2O3S/c16-11-2-4-12(5-3-11)18-22(20,21)13-6-7-14-10(9-13)1-8-15(19)17-14/h2-7,9,18H,1,8H2,(H,17,19)
  • InChiKey: BANOCBYMYBHZCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-fluorophenyl)-2-keto-3,4-dihydro-1H-quinoline-6-sulfonamide
  • T5561665
  • ZINC07417147

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL References
Homo sapiens glycoprotein hormones, alpha polypeptide Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Toxoplasma gondii intraflagellar transport protein 172, putative glycoprotein hormones, alpha polypeptide 116 aa 94 aa 26.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.5524 0.4774
Schistosoma mansoni pyruvate kinase 0.004 0.5524 0.5524
Echinococcus multilocularis pyruvate kinase 0.0021 0.2483 0.3559
Entamoeba histolytica hypothetical protein 0.0043 0.6015 1
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.5524 1
Loa Loa (eye worm) hypothetical protein 0.004 0.5524 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.6015 1
Echinococcus granulosus cpg binding protein 0.0034 0.4619 0.7455
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0819 0.042
Entamoeba histolytica hypothetical protein 0.0043 0.6015 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0839 0.0562
Leishmania major pyruvate kinase 0.004 0.5524 0.5
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.5524 0.9095
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.5524 0.9095
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.6015 0.6015
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.5524 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.4331 0.7581
Echinococcus granulosus pyruvate kinase 0.004 0.5524 0.9105
Echinococcus granulosus pyruvate kinase 0.0021 0.2483 0.3559
Schistosoma mansoni cpg binding protein 0.0033 0.4331 0.4331
Loa Loa (eye worm) pyruvate kinase 0.004 0.5524 1
Schistosoma mansoni cpg binding protein 0.0034 0.4619 0.4619
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.5524 0.5
Brugia malayi hypothetical protein 0.0043 0.6015 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.5524 1
Echinococcus granulosus pyruvate kinase 0.0021 0.2483 0.3559
Leishmania major pyruvate kinase 0.004 0.5524 0.5
Echinococcus multilocularis pyruvate kinase 0.004 0.5524 0.9105
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.8854 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0839 0.0562
Echinococcus granulosus pyruvate kinase 0.0021 0.2483 0.3559
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.6015 1
Schistosoma mansoni pyruvate kinase 0.0021 0.2483 0.2483
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.3633 0.6166
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.5524 1
Echinococcus multilocularis cpg binding protein 0.0034 0.4619 0.7455
Plasmodium vivax pyruvate kinase, putative 0.004 0.5524 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.5524 1
Trypanosoma brucei pyruvate kinase 1 0.004 0.5524 0.5
Echinococcus granulosus pyruvate kinase 0.004 0.5524 0.9105
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0531 0.0531
Echinococcus multilocularis pyruvate kinase 0.0021 0.2483 0.3559
Echinococcus multilocularis pyruvate kinase 0.0032 0.4208 0.6704
Loa Loa (eye worm) histone methyltransferase 0.001 0.0839 0.0502
Mycobacterium ulcerans pyruvate kinase 0.004 0.5524 0.5
Schistosoma mansoni hypothetical protein 0.0043 0.6015 0.6015
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.5524 1
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.004 0.5524 0.5
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.5524 0.5
Schistosoma mansoni cpg binding protein 0.0034 0.4619 0.4619
Brugia malayi CXXC zinc finger family protein 0.0033 0.4331 0.6895
Chlamydia trachomatis pyruvate kinase 0.004 0.5524 0.5
Loa Loa (eye worm) hypothetical protein 0.0028 0.3633 0.6166
Schistosoma mansoni pyruvate kinase 0.004 0.5524 0.5524
Entamoeba histolytica hypothetical protein 0.0043 0.6015 1
Echinococcus multilocularis pyruvate kinase 0.004 0.5524 0.9105
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.5524 0.5
Loa Loa (eye worm) pyruvate kinase 0.004 0.5524 1
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0012 0.1166 0.1059
Mycobacterium leprae Probable pyruvate kinase PykA 0.004 0.5524 0.5
Echinococcus multilocularis pyruvate kinase 0.0021 0.2483 0.3559
Giardia lamblia Pyruvate kinase 0.004 0.5524 1
Entamoeba histolytica hypothetical protein 0.0043 0.6015 1
Plasmodium falciparum pyruvate kinase 0.004 0.5524 1

Activities

Activity type Activity value Assay description Source Reference
EC50 (binding) = 6 uM Activation of human PKM2 assessed as ATP product formation after 1 hr by luminescent pyruvate kinase-luciferase coupled assay ChEMBL. 21958545
Emax (binding) = 84 % Activation of human PKM2 assessed as ATP product formation at 57 uM after 1 hr by luminescent pyruvate-kinase luciferase coupled assay ChEMBL. 21958545
Potency (functional) 0.9285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 1 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.5064 uM PUBCHEM_BIOASSAY: Confirmation Concentration-Response Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase: for Probe SAR. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.1995 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) 14.7157 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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

1 literature reference was collected for this gene.

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