Detailed information for compound 1538404

Basic information

Technical information
  • TDR Targets ID: 1538404
  • Name: 3,6-dinitroacenaphthene
  • MW: 244.203 | Formula: C12H8N2O4
  • H donors: 0 H acceptors: 4 LogP: 3.12 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc2c3c1CCc3ccc2[N+](=O)[O-]
  • InChi: 1S/C12H8N2O4/c15-13(16)10-5-2-7-1-3-8-11(14(17)18)6-4-9(10)12(7)8/h2,4-6H,1,3H2
  • InChiKey: WFTCCZBXYNRNNA-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • 3807-76-9
  • Acenaphthene, 3,6-dinitro- (8CI)
  • Acenaphthylene, 1,2-dihydro-3,6-dinitro- (9CI)
  • NSC 144483
  • AIDS-127128
  • AIDS127128
  • Acenaphthene, 3,6-dinitro-
  • Acenaphthylene, 1,2-dihydro-3, 6-dinitro-
  • NSC144483
  • Acenaphthylene, 1,2-dihydro-3,6-dinitro-

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521

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 glycogen phosphorylase, putative 0.0106 0.555 1
Brugia malayi carbohydrate phosphorylase 0.0106 0.555 1
Trypanosoma brucei DNA polymerase eta, putative 0.0054 0.2074 1
Echinococcus multilocularis glycogen phosphorylase 0.0106 0.555 0.555
Echinococcus granulosus Glycosyl transferase family 35 0.0106 0.555 0.555
Onchocerca volvulus Glycogen phosphorylase homolog 0.0106 0.555 0.5
Giardia lamblia Glycogen phosphorylase 0.0106 0.555 1
Schistosoma mansoni hypothetical protein 0.0172 1 1
Leishmania major DNA polymerase eta, putative 0.0054 0.2074 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0106 0.555 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.2074 0.3737
Schistosoma mansoni hypothetical protein 0.0172 1 1
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0046 0.1508 1
Echinococcus multilocularis geminin 0.0172 1 1
Loa Loa (eye worm) glycogen phosphorylase 0.0106 0.555 1
Schistosoma mansoni DNA polymerase eta 0.0054 0.2074 0.2074
Schistosoma mansoni glycogen phosphorylase 0.0046 0.1508 0.1508
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.2074 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0046 0.1508 0.2717
Echinococcus multilocularis glycogen phosphorylase 0.0106 0.555 0.555
Entamoeba histolytica glycogen phosphorylase, putative 0.0106 0.555 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.099 0.5
Echinococcus granulosus dna polymerase eta 0.0054 0.2074 0.2074
Trichomonas vaginalis glycogen phosphorylase, putative 0.0106 0.555 1
Entamoeba histolytica glycogen phosphorylase, putative 0.0046 0.1508 0.2717
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.099 0.4775
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0046 0.1508 1
Echinococcus multilocularis Glycosyl transferase, family 35 0.0106 0.555 0.555
Entamoeba histolytica glycogenphosphorylase, putative 0.0046 0.1508 0.2717
Leishmania major DNA polymerase eta, putative 0.0038 0.099 0.4775
Schistosoma mansoni glycogen phosphorylase 0.0106 0.555 0.555
Echinococcus granulosus glycogen phosphorylase 0.0106 0.555 0.555
Echinococcus multilocularis dna polymerase eta 0.0054 0.2074 0.2074
Echinococcus granulosus glycogen phosphorylase 0.0106 0.555 0.555
Schistosoma mansoni glycogen phosphorylase 0.0106 0.555 0.555
Chlamydia trachomatis glycogen phosphorylase 0.0106 0.555 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.0054 0.2074 0.3737

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.2818 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 26.6795 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 67.4555 uM PubChem BioAssay. qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 75.6863 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 79.4328 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (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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