Detailed information for compound 51119

Basic information

Technical information
  • TDR Targets ID: 51119
  • Name: 7-nitro-3,4-dihydro-2H-1,4-benzoxazine-5-carb oxylic acid
  • MW: 224.17 | Formula: C9H8N2O5
  • H donors: 2 H acceptors: 4 LogP: 1.01 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)c1cc(cc2c1NCCO2)[N+](=O)[O-]
  • InChi: 1S/C9H8N2O5/c12-9(13)6-3-5(11(14)15)4-7-8(6)10-1-2-16-7/h3-4,10H,1-2H2,(H,12,13)
  • InChiKey: WZQHJCFCPDYQGA-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

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
Onchocerca volvulus 0.0265 0.0076 0.0053
Mycobacterium tuberculosis Hypothetical protein 0.515 0.4207 0.4671
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.515 0.4207 0.4191
Loa Loa (eye worm) thymidylate synthase 1.0825 0.9008 1
Wolbachia endosymbiont of Brugia malayi phosphoribosylamine--glycine ligase 0.1202 0.0868 1
Echinococcus multilocularis thymidylate synthase 1.0825 0.9008 1
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 1.0825 0.9008 1
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 1.1998 1 1
Mycobacterium ulcerans phosphoribosylaminoimidazole synthetase 0.0265 0.0076 0.0053
Onchocerca volvulus 1.0825 0.9008 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 1.1998 1 1
Loa Loa (eye worm) dihydrofolate reductase 0.2999 0.2388 0.2628
Echinococcus granulosus thymidylate synthase 1.0825 0.9008 1
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.2999 0.2388 0.2628
Brugia malayi dihydrofolate reductase family protein 0.2999 0.2388 0.2628
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 1.0825 0.9008 1
Chlamydia trachomatis dihydrofolate reductase 0.2999 0.2388 0.5
Brugia malayi Dihydrofolate reductase 0.2999 0.2388 0.2628
Echinococcus multilocularis dihydrofolate reductase 0.2999 0.2388 0.2628
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.021 0.0029 0.0032
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 1.1998 1 1
Mycobacterium ulcerans thymidylate synthase 1.0825 0.9008 1
Trypanosoma brucei folylpolyglutamate synthase, putative 0.021 0.0029 0.0016
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 1.1998 1 1
Brugia malayi thymidylate synthase 1.0825 0.9008 1
Brugia malayi hypothetical protein 0.515 0.4207 0.4654
Mycobacterium tuberculosis Probable phosphoribosylformylglycinamidine CYCLO-ligase PurM (AIRS) (phosphoribosyl-aminoimidazole synthetase) (air synthase) 0.0265 0.0076 0.0084
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.2999 0.2388 0.2651
Treponema pallidum folylpolyglutamate synthetase (folC) 0.021 0.0029 0.5
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLAMINE--GLYCINE LIGASE PURD (GARS) (GLYCINAMIDE RIBONUCLEOTIDE SYNTHETASE) (PHOSPHORIBOSYLGLYCINAMIDE SYNT 0.1202 0.0868 0.0935
Schistosoma mansoni dihydrofolate reductase 0.2999 0.2388 0.2628
Echinococcus granulosus dihydrofolate reductase 0.2999 0.2388 0.2628
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.2999 0.2388 0.2628
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 1.1998 1 1
Trichomonas vaginalis conserved hypothetical protein 0.515 0.4207 1
Onchocerca volvulus 0.0211 0.003 0.0002
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 1.0825 0.9008 1
Mycobacterium leprae PROBABLE PHOSPHORIBOSYLFORMYLGLYCINAMIDINE CYCLO-LIGASE PURM (AIRS) (PHOSPHORIBOSYL-AMINOIMIDAZOLE SYNTHETASE) (AIR SYNTHASE) 0.0265 0.0076 0.0053
Mycobacterium ulcerans phosphoribosylamine--glycine ligase 0.1202 0.0868 0.0935
Leishmania major folylpolyglutamate synthetase 0.021 0.0029 0.0014

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 20 % Tested for edema suppression rate with respect to control value in adjuvant arthritis rat ;Range = 0-20% 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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