Detailed information for compound 283420

Basic information

Technical information
  • TDR Targets ID: 283420
  • Name: 8-nitrofluoranthene
  • MW: 247.248 | Formula: C16H9NO2
  • H donors: 0 H acceptors: 2 LogP: 4.33 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1ccc2c(c1)c1cccc3c1c2ccc3
  • InChi: 1S/C16H9NO2/c18-17(19)11-7-8-12-13-5-1-3-10-4-2-6-14(16(10)13)15(12)9-11/h1-9H
  • InChiKey: CTBYAQPHRFINGO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 13177-32-7
  • BRN 2532952
  • CCRIS 5507
  • FLUORANTHENE, 8-NITRO-

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
Schistosoma mansoni tar DNA-binding protein 0.007 0.4656 0.7521
Schistosoma mansoni tar DNA-binding protein 0.007 0.4656 0.7521
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.004 0.177 0.3801
Leishmania major DNA polymerase eta, putative 0.005 0.2693 1
Trypanosoma cruzi DNA polymerase eta, putative 0.005 0.2693 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0021 0 0.5
Mycobacterium ulcerans DNA polymerase IV 0.0021 0 0.5
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.1286 0.4775
Entamoeba histolytica hypothetical protein 0.004 0.1763 1
Brugia malayi TAR-binding protein 0.007 0.4656 0.4656
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.2795 0.2795
Brugia malayi ImpB/MucB/SamB family protein 0.005 0.2693 0.2693
Schistosoma mansoni transcription factor LCR-F1 0.004 0.1763 0.2848
Loa Loa (eye worm) RNA binding protein 0.007 0.4656 0.4656
Loa Loa (eye worm) hypothetical protein 0.0127 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.2795 0.4515
Trypanosoma brucei DNA polymerase eta, putative 0.005 0.2693 1
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0035 0.1286 0.5
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.004 0.177 0.3801
Schistosoma mansoni hypothetical protein 0.0087 0.619 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.2795 0.6003
Mycobacterium tuberculosis Conserved hypothetical protein 0.0021 0 0.5
Brugia malayi latrophilin 2 splice variant baaae 0.0087 0.619 0.619
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.004 0.1763 0.3787
Entamoeba histolytica hypothetical protein 0.004 0.1763 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.007 0.4656 0.4656
Schistosoma mansoni hypothetical protein 0.004 0.177 0.2859
Schistosoma mansoni hypothetical protein 0.004 0.177 0.2859
Echinococcus granulosus tar DNA binding protein 0.007 0.4656 1
Brugia malayi Latrophilin receptor protein 2 0.004 0.177 0.177
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.004 0.177 0.3801
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.004 0.1763 0.3787
Loa Loa (eye worm) hypothetical protein 0.0087 0.619 0.619
Leishmania major DNA polymerase eta, putative 0.0035 0.1286 0.4775
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0127 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.2795 0.4515
Entamoeba histolytica hypothetical protein 0.004 0.1763 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.004 0.177 0.3801
Brugia malayi hypothetical protein 0.004 0.1763 0.1763
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0 0.5
Echinococcus multilocularis dna polymerase eta 0.005 0.2693 0.5783
Loa Loa (eye worm) hypothetical protein 0.005 0.2693 0.2693
Brugia malayi RNA recognition motif domain containing protein 0.007 0.4656 0.4656
Echinococcus granulosus dna polymerase eta 0.005 0.2693 0.5783
Loa Loa (eye worm) hypothetical protein 0.004 0.177 0.177
Schistosoma mansoni tar DNA-binding protein 0.007 0.4656 0.7521
Loa Loa (eye worm) latrophilin receptor protein 2 0.004 0.177 0.177
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.004 0.177 0.177
Echinococcus multilocularis tar DNA binding protein 0.007 0.4656 1
Schistosoma mansoni hypothetical protein 0.004 0.177 0.2859
Schistosoma mansoni hypothetical protein 0.004 0.1763 0.2848
Schistosoma mansoni tar DNA-binding protein 0.007 0.4656 0.7521
Schistosoma mansoni tar DNA-binding protein 0.007 0.4656 0.7521
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.2795 0.6003
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.2795 0.6003
Brugia malayi Calcitonin receptor-like protein seb-1 0.0127 1 1
Giardia lamblia DINP protein human, muc B family 0.0021 0 0.5
Schistosoma mansoni hypothetical protein 0.004 0.177 0.2859
Mycobacterium ulcerans DNA polymerase IV 0.0021 0 0.5
Echinococcus multilocularis GPCR, family 2 0.004 0.177 0.3801
Brugia malayi RNA binding protein 0.007 0.4656 0.4656
Echinococcus granulosus GPCR family 2 0.004 0.177 0.3801
Loa Loa (eye worm) TAR-binding protein 0.007 0.4656 0.4656
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.2795 0.2795
Entamoeba histolytica hypothetical protein 0.004 0.1763 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.2795 0.6003
Schistosoma mansoni DNA polymerase eta 0.005 0.2693 0.435
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.2795 0.4515

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 4.05 Mutagenic activity of the compound was tested in an Ames test on S. typhimurium TA98; Activity is log of revertants/nmol ChEMBL. 1995902
logP (ADMET) = 4.69 Partition coefficient (logP) ChEMBL. 1995902

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

1 literature reference was collected for this gene.

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