Detailed information for compound 1616757

Basic information

Technical information
  • TDR Targets ID: 1616757
  • Name: N-hydroxy-2-[4-[[4-(hydroxy-oxidoazaniumyl)ph enyl]amino]-1-methoxy-1,3,4-trioxobutan-2-yl] -3-oxo-4H-quinoxalin-6-amine oxide
  • MW: 455.335 | Formula: C19H13N5O9
  • H donors: 2 H acceptors: 10 LogP: 1.66 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COC(=O)C(c1nc2ccc(cc2nc1O)[N+](=O)[O-])C(=O)C(=O)Nc1ccc(cc1)[N+](=O)[O-]
  • InChi: 1S/C19H13N5O9/c1-33-19(28)14(16(25)18(27)20-9-2-4-10(5-3-9)23(29)30)15-17(26)22-13-8-11(24(31)32)6-7-12(13)21-15/h2-8,14H,1H3,(H,20,27)(H,22,26)
  • InChiKey: DLTZSFGVXZRAMZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • methyl 2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-[(4-nitrophenyl)amino]-3,4-dioxobutanoate
  • methyl 2-[6-(hydroxy-oxidoamino)-3-oxo-4H-quinoxalin-2-yl]-4-[[4-(hydroxy-oxidoamino)phenyl]amino]-3,4-dioxobutanoate
  • N-hydroxy-2-[3-[[4-(hydroxy-oxido-ammonio)phenyl]amino]-1-methoxycarbonyl-2,3-dioxo-propyl]-3-oxo-4H-quinoxalin-6-amine oxide
  • methyl 2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-[(4-nitrophenyl)amino]-3,4-dioxo-butanoate
  • methyl 2-[6-(hydroxy-oxido-amino)-3-oxo-4H-quinoxalin-2-yl]-4-[[4-(hydroxy-oxido-amino)phenyl]amino]-3,4-dioxo-butanoate
  • 2-[6-(hydroxy-oxidoamino)-3-oxo-4H-quinoxalin-2-yl]-4-[[4-(hydroxy-oxidoamino)phenyl]amino]-3,4-dioxobutanoic acid methyl ester
  • N-hydroxy-2-[3-[[4-(hydroxy-oxidoammonio)phenyl]amino]-1-methoxycarbonyl-2,3-dioxopropyl]-3-oxo-4H-quinoxalin-6-amine oxide
  • 2-(6-nitro-3-oxo-4H-quinoxalin-2-yl)-4-[(4-nitrophenyl)amino]-3,4-dioxobutanoic acid methyl ester
  • 2-[6-(hydroxy-oxido-amino)-3-keto-4H-quinoxalin-2-yl]-4-[[4-(hydroxy-oxido-amino)phenyl]amino]-3,4-diketo-butyric acid methyl ester
  • 2-[1-carbomethoxy-3-[[4-(hydroxy-oxido-ammonio)phenyl]amino]-2,3-diketo-propyl]-N-hydroxy-3-keto-4H-quinoxalin-6-amine oxide
  • 3,4-diketo-2-(3-keto-6-nitro-4H-quinoxalin-2-yl)-4-[(4-nitrophenyl)amino]butyric acid methyl ester
  • N-hydroxy-2-[4-[[4-(hydroxy-oxido-azaniumyl)phenyl]amino]-1-methoxy-1,3,4-trioxo-butan-2-yl]-3-oxo-4H-quinoxalin-6-amine oxide
  • AIDS137580
  • Methyl 2-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)-4-(4-(hydroxy(oxido)amino)anilino)-3,4-dioxobutanoate
  • NSC642055
  • NCI60_014257
  • AIDS-137580

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
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.005 0.0704 0.0704
Schistosoma mansoni nuclear hormone receptor 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Loa Loa (eye worm) nuclear receptor nhr-7B 0.015 0.4162 0.4162
Brugia malayi nuclear hormone receptor 0.015 0.4162 0.4162
Brugia malayi hypothetical protein 0.0168 0.4787 0.4787
Brugia malayi ecdysone receptor 0.015 0.4162 0.4162
Trichomonas vaginalis set domain proteins, putative 0.0239 0.7288 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0704 0.0704
Echinococcus multilocularis nuclear receptor nhr 48 0.015 0.4162 0.4162
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.015 0.4162 0.4162
Echinococcus multilocularis Nuclear hormone receptor HR96 0.015 0.4162 0.4162
Brugia malayi Nuclear hormone receptor E75 0.015 0.4162 0.4162
Brugia malayi tailless protein 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.0168 0.4787 0.4787
Schistosoma mansoni nuclear receptor 0.015 0.4162 0.4162
Brugia malayi nuclear hormone receptor family member odr-7 0.015 0.4162 0.4162
Echinococcus granulosus Nuclear hormone receptor HR96 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Echinococcus granulosus thyroid hormone receptor alpha 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.015 0.4162 0.4162
Echinococcus granulosus nuclear receptor 2DBD gamma 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0704 0.0704
Loa Loa (eye worm) DR-78 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.0168 0.4787 0.4787
Brugia malayi Pre-SET motif family protein 0.021 0.6276 0.6276
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Brugia malayi Nuclear hormone receptor-like 1 0.0168 0.4787 0.4787
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0168 0.4787 0.4787
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Loa Loa (eye worm) nuclear hormone receptor 0.015 0.4162 0.4162
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.015 0.4162 0.4162
Echinococcus granulosus Nuclear hormone receptor HR96 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.0168 0.4787 0.4787
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.021 0.6276 0.6276
Echinococcus granulosus nuclear receptor nhr 48 0.015 0.4162 0.4162
Schistosoma mansoni zinc finger protein 0.015 0.4162 0.4162
Brugia malayi Nuclear hormone receptor E75 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Schistosoma mansoni nuclear receptor 0.015 0.4162 0.4162
Onchocerca volvulus 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0149 0.0149
Echinococcus multilocularis Nuclear hormone receptor HR96 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.0168 0.4787 0.4787
Brugia malayi hypothetical protein 0.0168 0.4787 0.4787
Onchocerca volvulus 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.0168 0.4787 0.4787
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.015 0.4162 0.4162
Loa Loa (eye worm) nuclear receptor NHR-67 0.015 0.4162 0.4162
Brugia malayi hypothetical protein 0.015 0.4162 0.4162
Schistosoma mansoni hypothetical protein 0.0034 0.0149 0.0149
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.0034 0.0149 0.0149
Brugia malayi orphan nuclear receptor NR2E1 0.015 0.4162 0.4162
Brugia malayi nuclear receptor RXR 0.015 0.4162 0.4162
Brugia malayi nuclear receptor RXR 0.0168 0.4787 0.4787
Schistosoma mansoni nuclear receptor nhr-48 0.015 0.4162 0.4162
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.015 0.4162 0.4162
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0704 0.0704
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.015 0.4162 0.4162
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0168 0.4787 0.4787
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0168 0.4787 0.4787
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0168 0.4787 0.4787
Brugia malayi conserved hypotetical protein 0.015 0.4162 0.4162
Loa Loa (eye worm) hypothetical protein 0.015 0.4162 0.4162
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.015 0.4162 0.4162
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.015 0.4162 0.4162
Brugia malayi nuclear receptor NHR-67 0.015 0.4162 0.4162
Brugia malayi hypothetical protein 0.015 0.4162 0.4162
Schistosoma mansoni nuclear hormone receptor 0.015 0.4162 0.4162
Brugia malayi Nuclear hormone receptor-like 1 0.0168 0.4787 0.4787
Brugia malayi nuclear receptor NHR-88 0.015 0.4162 0.4162
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0168 0.4787 0.4787
Onchocerca volvulus 0.0239 0.7288 0.7288
Brugia malayi nuclear hormone receptor family member nhr-6 0.015 0.4162 0.4162

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.378 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.183 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma 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 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 HOP-92 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 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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