Detailed information for compound 1280207

Basic information

Technical information
  • TDR Targets ID: 1280207
  • Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 5,6-dih ydro-1,4-dioxine-2-carboxylate
  • MW: 289.244 | Formula: C13H11N3O5
  • H donors: 0 H acceptors: 2 LogP: 1.72 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1=COCCO1)OCn1nnc2c(c1=O)cccc2
  • InChi: 1S/C13H11N3O5/c17-12-9-3-1-2-4-10(9)14-15-16(12)8-21-13(18)11-7-19-5-6-20-11/h1-4,7H,5-6,8H2
  • InChiKey: HJAPDIZNRUOVHB-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5,6-dihydro-1,4-dioxine-2-carboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester
  • 5,6-dihydro-1,4-dioxine-2-carboxylic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester
  • ZINC02661202
  • MLS000054013
  • SMR000063829
  • T5252992

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
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0099 0.0068
Loa Loa (eye worm) hypothetical protein 0.0026 0.0053 0.0053
Entamoeba histolytica hypothetical protein 0.004 0.0162 0.0131
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0053 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0053 1
Echinococcus granulosus hexokinase 0.1265 1 1
Brugia malayi hexokinase type II 0.0402 0.3072 0.305
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0031 0.0031
Brugia malayi Hexokinase family protein 0.0793 0.6215 0.6203
Loa Loa (eye worm) hexokinase type II 0.1265 1 1
Entamoeba histolytica hypothetical protein 0.004 0.0162 0.0131
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0053 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0053 1
Schistosoma mansoni hypothetical protein 0.004 0.0162 0.0131
Echinococcus granulosus hexokinase type 2 0.1265 1 1
Schistosoma mansoni hexokinase 0.1265 1 1
Leishmania major importin beta-1 subunit, putative 0.0026 0.005 0.0019
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0053 0.0022
Echinococcus multilocularis hexokinase type 2 0.1265 1 1
Brugia malayi Hexokinase family protein 0.1265 1 1
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0053 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0032 0.0099 0.0068
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0053 0.0022
Leishmania major hexokinase, putative 0.1265 1 1
Loa Loa (eye worm) hexokinase 0.0793 0.6215 0.6215
Loa Loa (eye worm) hypothetical protein 0.0026 0.0053 0.0053
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0053 1
Loa Loa (eye worm) hypothetical protein 0.0402 0.3072 0.3072
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0053 0.5
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0053 0.0022
Echinococcus multilocularis importin subunit beta 1 0.0032 0.0099 0.0068
Loa Loa (eye worm) hypothetical protein 0.0402 0.3072 0.3072
Schistosoma mansoni transcription factor LCR-F1 0.004 0.0162 0.0131
Entamoeba histolytica hexokinase 1 0.1265 1 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0031 0.5
Onchocerca volvulus Hexokinase homolog 0.0793 0.6215 0.6195
Mycobacterium ulcerans hypothetical protein 0.0026 0.0053 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0026 0.005 0.0019
Onchocerca volvulus 0.1265 1 1
Trichomonas vaginalis importin beta-1, putative 0.0026 0.005 1
Echinococcus granulosus hexokinase 0.1265 1 1
Echinococcus multilocularis snurportin 1 0.0341 0.2577 0.2554
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0053 0.0022
Entamoeba histolytica hypothetical protein 0.004 0.0162 0.0131
Plasmodium falciparum importin beta, putative 0.0032 0.0099 0.0099
Brugia malayi hypothetical protein 0.004 0.0162 0.0131
Entamoeba histolytica hypothetical protein 0.004 0.0162 0.0131
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.0162 0.0131
Entamoeba histolytica hypothetical protein 0.0026 0.005 0.0019
Entamoeba histolytica hexokinase 2 0.1265 1 1
Trypanosoma cruzi hexokinase, putative 0.1265 1 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0053 0.0053
Toxoplasma gondii HEAT repeat-containing protein 0.0032 0.0099 0.0068
Echinococcus granulosus snurportin 1 0.0341 0.2577 0.2554
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.005 1
Brugia malayi Hexokinase family protein 0.0391 0.2986 0.2964
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0053 0.0022
Trypanosoma brucei hexokinase, putative 0.1265 1 1
Echinococcus granulosus hexokinase 0.1265 1 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0053 0.0022
Onchocerca volvulus 0.1265 1 1
Brugia malayi RNA, U transporter 1 0.0091 0.0571 0.0542
Loa Loa (eye worm) hexokinase 0.0391 0.2986 0.2986
Plasmodium vivax importin-beta 2, putative 0.0032 0.0099 0.0099
Loa Loa (eye worm) hexokinase 0.1265 1 1
Toxoplasma gondii hexokinase 0.1265 1 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0031 0.0031
Schistosoma mansoni importin beta-1 0.0032 0.0099 0.0068
Echinococcus multilocularis hexokinase 0.1265 1 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0053 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0031 0.0031
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0053 0.0022
Plasmodium vivax hexokinase, putative 0.1265 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0026 0.005 1
Schistosoma mansoni hypothetical protein 0.0341 0.2577 0.2554
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.0162 0.0131
Leishmania major hexokinase, putative 0.1265 1 1
Trypanosoma brucei hexokinase 0.1265 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0053 1
Echinococcus granulosus importin subunit beta 1 0.0032 0.0099 0.0068
Echinococcus multilocularis hexokinase 0.1265 1 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0053 1
Loa Loa (eye worm) hypothetical protein 0.0863 0.6771 0.6771
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.002 0 0.5
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0053 1
Plasmodium falciparum hexokinase 0.1265 1 1
Onchocerca volvulus 0.1265 1 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0053 0.0022
Loa Loa (eye worm) hypothetical protein 0.0032 0.0099 0.0099
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0053 0.0022
Echinococcus multilocularis hexokinase 0.1265 1 1
Brugia malayi Importin beta-1 subunit 0.0032 0.0099 0.0068
Trypanosoma cruzi hexokinase, putative 0.1265 1 1
Trypanosoma brucei hexokinase 0.1265 1 1
Onchocerca volvulus 0.0793 0.6215 0.6195
Loa Loa (eye worm) hexokinase 0.1265 1 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0341 0.2577 0.2577
Treponema pallidum hexokinase (hxk) 0.1265 1 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1635 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) = 35.4813 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

Species name Source Reference Is orphan
Homo sapiens 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

No literature references available for this target.

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