Detailed information for compound 1612498

Basic information

Technical information
  • TDR Targets ID: 1612498
  • Name: 6,7-dimethyl-2-(4-methyl-3-nitrophenyl)-4-oxo chromene-8-carboxylic acid
  • MW: 353.326 | Formula: C19H15NO6
  • H donors: 1 H acceptors: 5 LogP: 3.63 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cc(ccc1C)c1cc(=O)c2c(o1)c(C(=O)O)c(c(c2)C)C
  • InChi: 1S/C19H15NO6/c1-9-4-5-12(7-14(9)20(24)25)16-8-15(21)13-6-10(2)11(3)17(19(22)23)18(13)26-16/h4-8H,1-3H3,(H,22,23)
  • InChiKey: QYGSQZMOUFCIHZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(8-carboxy-6,7-dimethyl-4-oxochromen-2-yl)-N-hydroxy-2-methylbenzeneamine oxide
  • 6,7-dimethyl-2-(4-methyl-3-nitro-phenyl)-4-oxo-chromene-8-carboxylic acid
  • 5-(8-carboxy-6,7-dimethyl-4-oxo-chromen-2-yl)-N-hydroxy-2-methyl-benzeneamine oxide
  • 6,7-dimethyl-2-(4-methyl-3-nitrophenyl)-4-oxo-8-chromenecarboxylic acid
  • 5-(8-carboxy-6,7-dimethyl-4-oxo-2-chromenyl)-N-hydroxy-2-methylbenzeneamine oxide
  • 5-(8-carboxy-4-keto-6,7-dimethyl-chromen-2-yl)-N-hydroxy-2-methyl-benzeneamine oxide
  • 4-keto-6,7-dimethyl-2-(4-methyl-3-nitro-phenyl)chromene-8-carboxylic acid
  • NCI60_008216
  • 2-(3-(Hydroxy(oxido)amino)-4-methylphenyl)-6,7-dimethyl-4-oxo-4H-chromene-8-carboxylic acid
  • AIDS-132373
  • AIDS132373
  • NSC625957

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Loa Loa (eye worm) hypothetical protein 0.0085 0.0365 0.0365
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0002 0.0044
Echinococcus granulosus FTZ F1 alpha 0.0009 0.0002 0.0011
Echinococcus multilocularis tumor protein p63 0.0306 0.143 0.9442
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0009 0.0002 0.0044
Brugia malayi nuclear receptor NHR-88 0.0009 0.0002 0.0044
Echinococcus granulosus tumor protein p63 0.0306 0.143 0.9442
Loa Loa (eye worm) hypothetical protein 0.2087 1 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0015 0.0032 0.021
Toxoplasma gondii hypothetical protein 0.2087 1 1
Loa Loa (eye worm) inward rectifying k channel family protein 1 0.2087 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.0114 0.0755
Loa Loa (eye worm) hypothetical protein 0.0064 0.0266 0.0266
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0009 0.0002 0.0011
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0033 0.0114 0.0755
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0015 0.0032 0.021
Loa Loa (eye worm) hypothetical protein 0.0039 0.0143 0.0143
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0009 0.0002 0.0044
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0015 0.0032 0.021
Echinococcus granulosus microtubule associated protein 2 0.0324 0.1515 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0033 0.0114 0.0754
Schistosoma mansoni transcription factor LCR-F1 0.0033 0.0114 0.0755
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0009 0 0.5
Echinococcus multilocularis muscleblind protein 0.007 0.0295 0.1945
Schistosoma mansoni RAR-like nuclear receptor 0.0009 0.0002 0.0011
Onchocerca volvulus 0.0045 0.0173 0.472
Schistosoma mansoni hypothetical protein 0.0154 0.0696 0.4595
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.002 0.0056 0.0368
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0009 0.0002 0.0002
Brugia malayi nuclear hormone receptor 0.0009 0.0002 0.0044
Brugia malayi Muscleblind-like protein 0.007 0.0295 0.8074
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0009 0.0002 0.0044
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0009 0.0002 0.0011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0009 0.0002 0.0002
Loa Loa (eye worm) PHD-finger family protein 0.0019 0.0047 0.0047
Schistosoma mansoni bromodomain containing protein 0.0057 0.0233 0.1541
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0015 0.0032 0.021
Schistosoma mansoni methyl-cpg binding protein mbd 0.0015 0.0032 0.021
Echinococcus granulosus histone lysine methyltransferase setb 0.0015 0.0032 0.021
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0009 0.0002 0.0011
Trypanosoma cruzi ISWI complex protein 0.0014 0.0024 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0009 0.0002 0.0011
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0002 0.0011
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0009 0.0002 0.0011
Schistosoma mansoni microtubule-associated protein tau 0.0324 0.1515 1
Entamoeba histolytica hypothetical protein 0.0033 0.0114 1
Leishmania major hypothetical protein, conserved 0.0014 0.0024 1
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0002 0.0011
Echinococcus granulosus muscleblind protein 0.007 0.0295 0.1945
Loa Loa (eye worm) hypothetical protein 0.007 0.0295 0.0295
Entamoeba histolytica hypothetical protein 0.0033 0.0114 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0015 0.0032 0.021
Loa Loa (eye worm) hypothetical protein 0.2087 1 1
Brugia malayi Bromodomain containing protein 0.0068 0.0284 0.7794
Schistosoma mansoni hypothetical protein 0.0014 0.0024 0.016
Echinococcus granulosus fetal alzheimer antigen falz 0.002 0.0056 0.0368
Brugia malayi PHD-finger family protein 0.0023 0.0066 0.1812
Loa Loa (eye worm) hypothetical protein 0.007 0.0295 0.0295
Trypanosoma cruzi ISWI complex protein 0.0014 0.0024 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0009 0.0002 0.0044
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0009 0.0002 0.0011
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0033 0.0114 0.0754
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0009 0.0002 0.0044
Schistosoma mansoni cellular tumor antigen P53 0.0045 0.0173 0.1143
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0009 0.0002 0.0002
Brugia malayi photoreceptor-specific nuclear receptor 0.0009 0.0002 0.0044
Brugia malayi Bromodomain containing protein 0.0035 0.0125 0.3411
Brugia malayi Steroid receptor seven-up type 2 0.0009 0.0002 0.0044
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0009 0.0002 0.0011
Trichomonas vaginalis ap endonuclease, putative 0.0009 0 0.5
Trypanosoma brucei ISWI complex protein 0.0014 0.0024 1
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0009 0.0002 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0009 0.0002 0.0044
Loa Loa (eye worm) hypothetical protein 0.0045 0.0173 0.0173
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0002 0.0044
Schistosoma mansoni hypothetical protein 0.0019 0.0047 0.0313
Brugia malayi N-terminal motif family protein 0.0085 0.0365 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0009 0.0002 0.0011
Loa Loa (eye worm) steroid hormone receptor 0.0009 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Loa Loa (eye worm) bromodomain containing protein 0.0016 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Schistosoma mansoni nuclear hormone receptor 0.0009 0.0002 0.0011
Schistosoma mansoni retinoic acid receptor RXR 0.0009 0.0002 0.0011
Schistosoma mansoni zinc finger protein 0.0014 0.0024 0.016
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0009 0.0002 0.0011
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0009 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0033 0.0114 0.0755
Echinococcus multilocularis ecdysone induced protein 78C 0.0009 0.0002 0.0011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0009 0.0002 0.0002
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0009 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0002 0.0011
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0009 0.0002 0.0011
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0009 0.0002 0.0011
Entamoeba histolytica hypothetical protein 0.0033 0.0114 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0009 0.0002 0.0002
Schistosoma mansoni zinc finger protein 0.0018 0.0043 0.0283
Echinococcus multilocularis fetal alzheimer antigen, falz 0.002 0.0056 0.0368
Loa Loa (eye worm) hypothetical protein 0.0035 0.0125 0.0125
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0009 0.0002 0.0011
Schistosoma mansoni thyroid hormone receptor 0.0009 0.0002 0.0011
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0002 0.0044
Echinococcus multilocularis zinc finger protein 0.0018 0.0043 0.0283
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0009 0.0002 0.0011
Echinococcus multilocularis muscleblind protein 1 0.007 0.0295 0.1945
Brugia malayi Nuclear hormone receptor-like 1 0.0009 0.0002 0.0044
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0009 0.0002 0.0044
Echinococcus multilocularis microtubule associated protein 2 0.0324 0.1515 1
Brugia malayi hypothetical protein 0.0033 0.0114 0.3134
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0009 0.0002 0.0002
Echinococcus multilocularis geminin 0.0154 0.0696 0.4595
Treponema pallidum exodeoxyribonuclease (exoA) 0.0009 0 0.5
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0009 0.0002 0.0044
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Echinococcus granulosus zinc finger protein 0.0018 0.0043 0.0283
Loa Loa (eye worm) hypothetical protein 0.0009 0.0002 0.0002
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0054 0.0218 0.1438
Echinococcus granulosus ecdysone induced protein 78C 0.0009 0.0002 0.0011
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0009 0.0002 0.0044
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0009 0.0002 0.0011
Entamoeba histolytica hypothetical protein 0.0033 0.0114 1
Trichomonas vaginalis ap endonuclease, putative 0.0009 0 0.5
Schistosoma mansoni hypothetical protein 0.0154 0.0696 0.4595
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0009 0 0.5
Schistosoma mansoni steroid hormone receptor ad4bp 0.0009 0.0002 0.0011
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0009 0.0002 0.0044
Loa Loa (eye worm) hypothetical protein 0.0015 0.0032 0.0032
Echinococcus multilocularis FTZ F1 alpha 0.0009 0.0002 0.0011
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0009 0 0.5
Schistosoma mansoni coup transcription factor 0.0009 0.0002 0.0011
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0015 0.0032 0.021
Echinococcus multilocularis thyroid hormone receptor alpha 0.0009 0.0002 0.0011
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0009 0.0002 0.0002
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0009 0.0002 0.0011
Echinococcus granulosus geminin 0.0154 0.0696 0.4595
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0009 0 0.5
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0085 0.0365 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0054 0.0218 0.1438
Brugia malayi steroid hormone receptor 0.0009 0.0002 0.0044
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0009 0.0002 0.0011
Brugia malayi ecdysteroid receptor 0.0009 0.0002 0.0044
Loa Loa (eye worm) hypothetical protein 0.0037 0.0135 0.0135

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) 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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