Detailed information for compound 1205195

Basic information

Technical information
  • TDR Targets ID: 1205195
  • Name: N-(4-methylphenyl)-2-oxo-1H-quinoline-4-carbo xamide
  • MW: 278.305 | Formula: C17H14N2O2
  • H donors: 2 H acceptors: 3 LogP: 3.37 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)NC(=O)c1cc(O)nc2c1cccc2
  • InChi: 1S/C17H14N2O2/c1-11-6-8-12(9-7-11)18-17(21)14-10-16(20)19-15-5-3-2-4-13(14)15/h2-10H,1H3,(H,18,21)(H,19,20)
  • InChiKey: AFAQDMMQPWKENR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-keto-N-(4-methylphenyl)-1H-quinoline-4-carboxamide
  • Oprea1_814742
  • 2-Oxo-1,2-dihydro-quinoline-4-carboxylic acid p-tolylamide
  • ZINC00181302
  • EU-0070895
  • T0502-1360
  • BAS 06105730

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Entamoeba histolytica hypothetical protein 0.0036 0.063 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0578 0.1664
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.2049 0.8022
Echinococcus granulosus beta LACTamase domain containing family member 0.0077 0.1479 0.4128
Loa Loa (eye worm) hypothetical protein 0.0077 0.1479 0.5654
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0128
Loa Loa (eye worm) hypothetical protein 0.0072 0.1368 0.5194
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.061 0.2044
Schistosoma mansoni hypothetical protein 0.0033 0.0578 0.1664
Trichomonas vaginalis esterase, putative 0.0077 0.1479 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.1479 0.4254
Loa Loa (eye worm) hypothetical protein 0.0077 0.1479 0.5654
Brugia malayi hypothetical protein 0.0036 0.063 0.2136
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.2049 0.8024
Plasmodium vivax hypothetical protein, conserved 0.0077 0.1479 0.5
Leishmania major hypothetical protein, conserved 0.0077 0.1479 0.5
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0077 0.1479 0.5654
Echinococcus multilocularis geminin 0.0174 0.3477 1
Schistosoma mansoni hypothetical protein 0.0033 0.0578 0.1664
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0036 0.063 0.1632
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0578 0.1481
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0578 0.1912
Loa Loa (eye worm) hypothetical protein 0.0077 0.1479 0.5654
Echinococcus multilocularis beta LACTamase domain containing family member 0.0077 0.1479 0.4128
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1033 0.297
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0578 0.1922
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0036 0.063 0.1632
Schistosoma mansoni cpg binding protein 0.0037 0.0651 0.1872
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1033 0.3799
Mycobacterium ulcerans lipase LipD 0.0077 0.1479 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1033 0.297
Brugia malayi CXXC zinc finger family protein 0.0035 0.061 0.2054
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.2525 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0077 0.1479 0.5
Schistosoma mansoni hypothetical protein 0.0174 0.3477 1
Mycobacterium ulcerans beta-lactamase 0.0077 0.1479 0.5
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0578 0.1481
Brugia malayi beta-lactamase family protein 0.0077 0.1479 0.5659
Echinococcus multilocularis GPCR, family 2 0.0033 0.0578 0.1481
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.2525 1
Trypanosoma brucei hypothetical protein, conserved 0.0077 0.1479 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1033 0.297
Schistosoma mansoni hypothetical protein 0.0072 0.1368 0.3936
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1033 0.2815
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.1479 1
Entamoeba histolytica hypothetical protein 0.0036 0.063 0.5
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.1479 1
Loa Loa (eye worm) hypothetical protein 0.0105 0.2049 0.8022
Echinococcus granulosus tar DNA binding protein 0.0128 0.2525 0.7203
Loa Loa (eye worm) hypothetical protein 0.0077 0.1479 0.5654
Mycobacterium ulcerans hypothetical protein 0.0077 0.1479 0.5
Brugia malayi RNA binding protein 0.0128 0.2525 1
Loa Loa (eye worm) beta-lactamase 0.0077 0.1479 0.5654
Onchocerca volvulus 0.0077 0.1479 1
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.1479 1
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.1479 0.5
Brugia malayi beta-lactamase 0.0077 0.1479 0.5659
Brugia malayi latrophilin 2 splice variant baaae 0.0072 0.1368 0.5199
Entamoeba histolytica hypothetical protein 0.0036 0.063 0.5
Schistosoma mansoni hypothetical protein 0.0036 0.063 0.1812
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2525 0.7263
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2525 0.7263
Loa Loa (eye worm) hypothetical protein 0.0077 0.1479 0.5654
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.063 0.1812
Loa Loa (eye worm) hypothetical protein 0.0077 0.1479 0.5654
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1033 0.2815
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1033 0.2815
Echinococcus multilocularis cpg binding protein 0.0037 0.0651 0.1693
Loa Loa (eye worm) TAR-binding protein 0.0128 0.2525 1
Echinococcus granulosus geminin 0.0174 0.3477 1
Mycobacterium ulcerans esterase/lipase LipP 0.0077 0.1479 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1409 0.4053
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1033 0.2815
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0578 0.1481
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0118 0.0128
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.1479 0.4254
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.2049 0.8024
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0075 0.0215
Echinococcus granulosus cpg binding protein 0.0037 0.0651 0.1693
Brugia malayi TAR-binding protein 0.0128 0.2525 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.1479 1
Loa Loa (eye worm) RNA binding protein 0.0128 0.2525 1
Onchocerca volvulus 0.0077 0.1479 1
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.1479 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.1479 1
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2525 0.7263
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0077 0.1479 0.5659
Schistosoma mansoni cpg binding protein 0.0037 0.0651 0.1872
Schistosoma mansoni cpg binding protein 0.0035 0.061 0.1755
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0578 0.1481
Mycobacterium leprae conserved hypothetical protein 0.0077 0.1479 0.5
Mycobacterium leprae Probable lipase LipE 0.0077 0.1479 0.5
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2525 0.7263
Toxoplasma gondii ABC1 family protein 0.0077 0.1479 1
Schistosoma mansoni hypothetical protein 0.0174 0.3477 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0578 0.1912
Schistosoma mansoni tar DNA-binding protein 0.0128 0.2525 0.7263
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0578 0.1922
Brugia malayi beta-lactamase family protein 0.0077 0.1479 0.5659
Schistosoma mansoni hypothetical protein 0.0033 0.0578 0.1664
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1033 0.3806
Echinococcus granulosus GPCR family 2 0.0033 0.0578 0.1481
Entamoeba histolytica hypothetical protein 0.0036 0.063 0.5
Onchocerca volvulus 0.0077 0.1479 1
Echinococcus multilocularis tar DNA binding protein 0.0128 0.2525 0.7203

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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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