Detailed information for compound 1313664

Basic information

Technical information
  • TDR Targets ID: 1313664
  • Name: 1-hydroxy-2-(4-nitrophenyl)-6,7-dihydro-5H-be nzimidazol-4-one
  • MW: 273.244 | Formula: C13H11N3O4
  • H donors: 1 H acceptors: 5 LogP: 2.05 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc(cc1)c1nc2c(n1O)CCCC2=O
  • InChi: 1S/C13H11N3O4/c17-11-3-1-2-10-12(11)14-13(15(10)18)8-4-6-9(7-5-8)16(19)20/h4-7,18H,1-3H2
  • InChiKey: ZBXNVWXVGBCAOX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • Oprea1_563244
  • STK040042
  • 1-Hydroxy-2-(4-nitro-phenyl)-1,5,6,7-tetrahydro-benzoimidazol-4-one
  • MLS001029969
  • SMR000426973
  • ZINC00494038

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 granulosus endonuclease exonuclease phosphatase 0.0201 0.4034 0.4809
Loa Loa (eye worm) hypothetical protein 0.0051 0.0752 0.0752
Schistosoma mansoni wiskott-aldrich syndrome protein 0.0037 0.0453 0.0705
Echinococcus granulosus polycomb protein SCMH1 0.0051 0.0752 0.0896
Brugia malayi Protein kinase domain 0.0038 0.0469 0.0469
Schistosoma mansoni hypothetical protein 0.0036 0.0423 0.0658
Brugia malayi P21-Rho-binding domain containing protein 0.0037 0.0453 0.0453
Brugia malayi mbt repeat family protein 0.0051 0.0752 0.0752
Schistosoma mansoni protein kinase 0.0038 0.0469 0.073
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0058 0.0906 0.1081
Echinococcus multilocularis p21 activated protein kinase 1 Dpak1 0.0038 0.0469 0.0559
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0423 0.0423
Schistosoma mansoni hypothetical protein 0.0037 0.0453 0.0705
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.055 0.5
Echinococcus multilocularis PAK box P21 Rho binding 0.0037 0.0453 0.054
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0058 0.0906 0.1081
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0038 0.0469 0.0559
Echinococcus granulosus histone acetyltransferase KAT2B 0.0046 0.0633 0.0755
Brugia malayi WH1 domain containing protein 0.0037 0.0453 0.0453
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0038 0.0469 0.0559
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.055 1
Brugia malayi acetyltransferase, GNAT family protein 0.0155 0.3027 0.3027
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0058 0.0906 0.0906
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0752 0.1171
Loa Loa (eye worm) hypothetical protein 0.0053 0.0787 0.0787
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.055 1
Trichomonas vaginalis STE family protein kinase 0.0038 0.0469 0.0891
Schistosoma mansoni hypothetical protein 0.031 0.6421 1
Echinococcus multilocularis serine:threonine protein kinase PAK 4 0.04 0.8389 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0155 0.3027 0.4715
Echinococcus granulosus serine:threonine protein kinase PAK 4 0.04 0.8389 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0787 0.0787
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0201 0.4034 0.4809
Brugia malayi serine/threonine-protein kinase PAK 7 0.0437 0.9206 0.9206
Echinococcus granulosus serine:threonine protein kinase PAK 3 0.0038 0.0469 0.0559
Loa Loa (eye worm) STE/STE20/PAKB protein kinase 0.0437 0.9206 0.9206
Schistosoma mansoni hypothetical protein 0.0037 0.0453 0.0705
Schistosoma mansoni tyrosine kinase 0.0037 0.0453 0.0705
Entamoeba histolytica p21-activated kinase 0.0038 0.0469 0.1651
Brugia malayi mbt repeat family protein 0.0051 0.0752 0.0752
Schistosoma mansoni myelin transcription factor 1 myt1 0.0058 0.0906 0.1412
Echinococcus multilocularis Protein lozenge 0.0059 0.0936 0.1116
Entamoeba histolytica protein kinase, putative 0.0038 0.0469 0.1651
Schistosoma mansoni serine/threonine protein kinase 0.0037 0.0453 0.0705
Echinococcus granulosus PAK box P21 Rho binding 0.0037 0.0453 0.054
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0046 0.0633 0.5
Echinococcus granulosus p21 activated protein kinase 1 Dpak1 0.0038 0.0469 0.0559
Trichomonas vaginalis STE family protein kinase 0.0038 0.0469 0.0891
Echinococcus multilocularis PAK box P21 Rho binding 0.0038 0.0469 0.0559
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0155 0.3027 0.3609
Echinococcus multilocularis SAM and MBT domain containing protein 0.0051 0.0752 0.0896
Entamoeba histolytica protein kinase, putative 0.0038 0.0469 0.1651
Echinococcus multilocularis neural Wiskott Aldrich syndrome protein 0.0037 0.0453 0.054
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0051 0.0752 0.1171
Schistosoma mansoni protein kinase 0.0038 0.0469 0.073
Schistosoma mansoni lozenge 0.0059 0.0936 0.1458
Schistosoma mansoni sex comb on midleg homolog 0.0051 0.0752 0.1171
Loa Loa (eye worm) mbt repeat family protein 0.0051 0.0752 0.0752
Echinococcus multilocularis histone acetyltransferase MYST2 0.0058 0.0906 0.1081
Loa Loa (eye worm) MBCTL1 0.0058 0.0906 0.0906
Entamoeba histolytica protein kinase, putative 0.0038 0.0469 0.1651
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0046 0.0633 0.5
Trichomonas vaginalis STE family protein kinase 0.0038 0.0469 0.0891
Echinococcus granulosus histone acetyltransferase MYST2 0.0058 0.0906 0.1081
Trichomonas vaginalis STE family protein kinase 0.0038 0.0469 0.0891
Loa Loa (eye worm) acetyltransferase 0.0155 0.3027 0.3027
Loa Loa (eye worm) hypothetical protein 0.0036 0.0423 0.0423
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0787 0.0787
Loa Loa (eye worm) hypothetical protein 0.0037 0.0453 0.0453
Schistosoma mansoni protein kinase 0.0037 0.0453 0.0705
Trichomonas vaginalis bromodomain-containing protein, putative 0.0046 0.0633 1
Loa Loa (eye worm) runx1 0.0059 0.0936 0.0936
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0046 0.0633 1
Schistosoma mansoni protein kinase 0.0038 0.0469 0.073
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0046 0.0633 0.5
Loa Loa (eye worm) P21-Rho-binding domain-containing protein 0.0037 0.0453 0.0453
Brugia malayi P21-Rho-binding domain containing protein 0.0037 0.0453 0.0453
Entamoeba histolytica protein kinase, putative 0.0038 0.0469 0.1651
Echinococcus granulosus 3'partial|serine:threonine protein kinase PAK 2 0.0037 0.0453 0.054
Loa Loa (eye worm) hypothetical protein 0.0058 0.0906 0.0906
Schistosoma mansoni hypothetical protein 0.0037 0.0453 0.0705
Echinococcus granulosus SAM and MBT domain containing protein 0.0051 0.0752 0.0896
Echinococcus granulosus histone acetyltransferase KAT2B 0.015 0.2932 0.3495
Echinococcus granulosus neural Wiskott Aldrich syndrome protein 0.0037 0.0453 0.054
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0787 0.0787
Echinococcus multilocularis serine:threonine protein kinase PAK 3 0.0038 0.0469 0.0559
Echinococcus multilocularis polycomb protein SCMH1 0.0051 0.0752 0.0896
Trichomonas vaginalis STE family protein kinase 0.0038 0.0469 0.0891

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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