Detailed information for compound 1603087

Basic information

Technical information
  • TDR Targets ID: 1603087
  • Name: 6-nitro-1-(phenylmethoxymethyl)quinazoline-2, 4-dione
  • MW: 327.292 | Formula: C16H13N3O5
  • H donors: 1 H acceptors: 4 LogP: 1.9 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc2c(c1)c(=O)[nH]c(=O)n2COCc1ccccc1
  • InChi: 1S/C16H13N3O5/c20-15-13-8-12(19(22)23)6-7-14(13)18(16(21)17-15)10-24-9-11-4-2-1-3-5-11/h1-8H,9-10H2,(H,17,20,21)
  • InChiKey: RXRSHLAXLKYLQE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-hydroxy-2,4-dioxo-1-(phenylmethoxymethyl)quinazolin-6-amine oxide
  • 6-(hydroxy-oxidoamino)-1-(phenylmethoxymethyl)quinazoline-2,4-dione
  • 6-(hydroxy-oxido-amino)-1-(phenylmethoxymethyl)quinazoline-2,4-dione
  • N-hydroxy-2,4-dioxo-1-(phenylmethoxymethyl)-6-quinazolinamine oxide
  • 1-(benzyloxymethyl)-6-nitro-quinazoline-2,4-quinone
  • 1-(benzyloxymethyl)-6-(hydroxy-oxido-amino)quinazoline-2,4-quinone
  • 1-(benzyloxymethyl)-N-hydroxy-2,4-diketo-quinazolin-6-amine oxide
  • ZINC01443184
  • 1-((Benzyloxy)methyl)-6-(hydroxy(oxido)amino)-2,4(1H,3H)-quinazolinedione
  • AIDS-150631
  • AIDS150631
  • NSC688035
  • 1-Benzyloxymethyl-6-nitro-2,4(1H,3H)-quinazolinedione
  • A3633/0154146
  • NCI60_031770

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
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0395 0.0405 0.0978
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0223 0.0092 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0223 0.0092 0.2269
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0223 0.0092 0.2269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0395 0.0405 0.0405
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0395 0.0405 0.0978
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0395 0.0405 0.0405
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0395 0.0405 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0223 0.0092 0.2269
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0395 0.0405 0.6121
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0223 0.0092 0.1389
Trypanosoma cruzi target of rapamycin kinase 3 0.0395 0.0405 0.0978
Loa Loa (eye worm) hypothetical protein 0.0248 0.0138 0.2088
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Leishmania major hypothetical protein, conserved 0.2061 0.3432 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0223 0.0092 0.2269
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0395 0.0405 1
Loa Loa (eye worm) hypothetical protein 0.0257 0.0154 0.232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0395 0.0405 1
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.5674 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0223 0.0092 0.2269
Brugia malayi hypothetical protein 0.0257 0.0154 0.379
Echinococcus granulosus serine protein kinase ATM 0.0223 0.0092 0.0092
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0223 0.0092 0.2269
Giardia lamblia GTOR 0.0395 0.0405 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Loa Loa (eye worm) hypothetical protein 0.0257 0.0154 0.232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0223 0.0092 0.2269
Loa Loa (eye worm) phosphatidylinositol 3 0.0395 0.0405 0.6121
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0248 0.0138 0.1478
Loa Loa (eye worm) hypothetical protein 0.0537 0.0662 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0223 0.0092 0.2269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0395 0.0405 0.0978
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0248 0.0138 0.1478
Trichomonas vaginalis conserved hypothetical protein 0.0248 0.0138 0.3411
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trypanosoma cruzi hypothetical protein, conserved 0.1985 0.3294 1
Loa Loa (eye worm) hypothetical protein 0.0223 0.0092 0.1389
Echinococcus multilocularis cyclin dependent kinase 5 activator 1 0.0537 0.0662 0.0662
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0395 0.0405 1
Echinococcus multilocularis serine protein kinase ATM 0.0223 0.0092 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0395 0.0405 0.0405
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0223 0.0092 0.2269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0395 0.0405 0.0405
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Echinococcus granulosus cyclin dependent kinase 5 activator 1 0.0537 0.0662 0.0662
Trichomonas vaginalis PIKK family atypical protein kinase 0.0248 0.0138 0.3411
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0395 0.0405 0.0978
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.0223 0.0092 0.1389
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0395 0.0405 1
Schistosoma mansoni cyclin-dependent kinase 5 activator 0.0537 0.0662 1
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0395 0.0405 0.6121
Loa Loa (eye worm) phosphatidylinositol 3 0.0395 0.0405 0.6121
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0223 0.0092 0.0092
Trichomonas vaginalis PIKK family atypical protein kinase 0.0395 0.0405 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0223 0.0092 0.2269

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.591 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 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 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 HL-60(TB) Leukemia 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 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 SF-539 Central Nervous System 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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