Detailed information for compound 1675311

Basic information

Technical information
  • TDR Targets ID: 1675311
  • Name: 3-[2-(1,3-benzodioxol-5-yl)-2-hydroxyacetyl]- 7-(hydroxy-oxidoamino)-1H-quinoxalin-2-one
  • MW: 369.285 | Formula: C17H11N3O7
  • H donors: 2 H acceptors: 7 LogP: 2.44 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nc2ccc(cc2nc1O)[N+](=O)[O-])C(c1ccc2c(c1)OCO2)O
  • InChi: 1S/C17H11N3O7/c21-15(8-1-4-12-13(5-8)27-7-26-12)16(22)14-17(23)19-11-6-9(20(24)25)2-3-10(11)18-14/h1-6,15,21H,7H2,(H,19,23)
  • InChiKey: YKWZVHIDWRCNJZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxyacetyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide
  • 3-[2-(1,3-benzodioxol-5-yl)-2-hydroxyacetyl]-7-nitro-1H-quinoxalin-2-one
  • 3-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-acetyl]-7-(hydroxy-oxido-amino)-1H-quinoxalin-2-one
  • 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-acetyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide
  • 3-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-acetyl]-7-nitro-1H-quinoxalin-2-one
  • 3-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-oxoethyl]-7-nitro-1H-quinoxalin-2-one
  • 3-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-oxoethyl]-7-(hydroxy-oxidoamino)-1H-quinoxalin-2-one
  • 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-1-oxoethyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide
  • 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-acetyl]-N-hydroxy-3-keto-4H-quinoxalin-6-amine oxide
  • 2-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethanoyl]-N-hydroxy-3-oxo-4H-quinoxalin-6-amine oxide
  • 3-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethanoyl]-7-nitro-1H-quinoxalin-2-one
  • 3-[2-(1,3-benzodioxol-5-yl)-2-hydroxy-ethanoyl]-7-(hydroxy-oxido-amino)-1H-quinoxalin-2-one
  • ST5450937
  • NCI60_016176
  • 2-(1,3-Benzodioxol-5-yl)-2-hydroxy-1-(3-hydroxy-6-(hydroxy(oxido)amino)-2-quinoxalinyl)ethanone
  • AIDS-138960
  • AIDS138960
  • NSC646824

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) RNA recognition domain-containing protein domain-containing protein 0.0066 0.7028 0.657
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0027 0.1371 0.1371
Brugia malayi Cation transporter family protein 0.0027 0.1371 0.1371
Loa Loa (eye worm) TAR-binding protein 0.0066 0.7028 0.657
Onchocerca volvulus 0.0087 1 1
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.1371 0.1371
Loa Loa (eye worm) RNA binding protein 0.0066 0.7028 0.657
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.1371 0.1371
Brugia malayi Hypothetical glycine receptor like protein T20B12.9 in chromosome III 0.0027 0.1371 0.1371
Brugia malayi acetylcholine receptor alpha subunit precursor, putative 0.0027 0.1371 0.1371
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.1334 0.5
Loa Loa (eye worm) hypothetical protein 0.0087 1 1
Brugia malayi excitatory GABA receptor EXP-1A 0.0027 0.1371 0.1371
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Loa Loa (eye worm) ligand-Gated ion Channel family member 0.0027 0.1371 0.0042
Schistosoma mansoni tar DNA-binding protein 0.0066 0.7028 0.6556
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Brugia malayi hypothetical protein 0.0026 0.1334 0.1334
Schistosoma mansoni nAChR subunit (ShAR1-beta-like) 0.0087 1 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.7028 0.6556
Brugia malayi acetylcholine receptor, alpha-type subunit unc-38 precursor 0.0027 0.1371 0.1371
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.1334 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Onchocerca volvulus 0.0087 1 1
Schistosoma mansoni tar DNA-binding protein 0.0066 0.7028 0.6556
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.1334 0.5
Leishmania major hypothetical protein, conserved 0.0026 0.1334 0.5
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.1334 0.5
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Loa Loa (eye worm) nicotinic acetylcholine receptor non-alpha subunit 0.0027 0.1371 0.0042
Brugia malayi RNA binding protein 0.0066 0.7028 0.7028
Brugia malayi RNA recognition motif domain containing protein 0.0066 0.7028 0.7028
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.1371 0.1371
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.1371 0.1371
Loa Loa (eye worm) LGC-31 protein 0.0027 0.1371 0.0042
Brugia malayi acetylcholine receptor protein, alpha-like chain, putative 0.0027 0.1371 0.1371
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Schistosoma mansoni tar DNA-binding protein 0.0066 0.7028 0.6556
Loa Loa (eye worm) ACC-1 protein 0.0027 0.1371 0.0042
Loa Loa (eye worm) nicotinic acetylcholine receptor alpha subunit 0.0027 0.1371 0.0042
Loa Loa (eye worm) glutamate-gated chloride channel alpha3A subunit 0.0027 0.1371 0.0042
Schistosoma mansoni tar DNA-binding protein 0.0066 0.7028 0.6556
Loa Loa (eye worm) hypothetical protein 0.0087 1 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Loa Loa (eye worm) excitatory GABA receptor EXP-1A 0.0027 0.1371 0.0042
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.1334 0.5
Brugia malayi Cation transporter family protein 0.0027 0.1371 0.1371
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0027 0.1371 0.1371
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Loa Loa (eye worm) hypothetical protein 0.0075 0.8247 0.7977
Brugia malayi gamma-aminobutyric-acid receptor beta subunit precursor 0.0027 0.1371 0.1371
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Onchocerca volvulus 0.0087 1 1
Echinococcus multilocularis tar DNA binding protein 0.0066 0.7028 1
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.1334 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.1334 0.5
Loa Loa (eye worm) ACC-1 protein 0.0027 0.1371 0.0042
Brugia malayi nicotinic acetylcholine receptor alpha subunit, putative 0.0027 0.1371 0.1371
Loa Loa (eye worm) acetylcholine receptor alpha subunit 0.0027 0.1371 0.0042
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Schistosoma mansoni nAChR subunit (ShAR1-alpha-like) 0.0087 1 1
Brugia malayi nicotinic acetylcholine receptor beta-1 chain precursor 0.0027 0.1371 0.1371
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Brugia malayi Neurotransmitter-gated ion-channel transmembrane region family protein 0.0027 0.1371 0.1371
Brugia malayi TAR-binding protein 0.0066 0.7028 0.7028
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.1371 0.1371
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Brugia malayi Neurotransmitter-gated ion-channel ligand binding domain containing protein 0.0027 0.1371 0.1371
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Loa Loa (eye worm) hypothetical protein 0.0027 0.1371 0.0042
Echinococcus granulosus tar DNA binding protein 0.0066 0.7028 1

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.408 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) -4.34 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) -4.15 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast 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 DU-145 Prostate 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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