Detailed information for compound 1471231

Basic information

Technical information
  • TDR Targets ID: 1471231
  • Name: 1-methyl-3-(3-nitrophenyl)benzo[f]quinoline
  • MW: 314.337 | Formula: C20H14N2O2
  • H donors: 0 H acceptors: 3 LogP: 5.3 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][N+](=O)c1cccc(c1)c1cc(C)c2c(n1)ccc1c2cccc1
  • InChi: 1S/C20H14N2O2/c1-13-11-19(15-6-4-7-16(12-15)22(23)24)21-18-10-9-14-5-2-3-8-17(14)20(13)18/h2-12H,1H3
  • InChiKey: CBYWHZASTPETRR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • CBDivE_006682
  • ZINC02469411
  • Benzo[f]quinoline, 1-methyl-3-(3-nitrophenyl)-
  • STK028638

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
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0535
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0002 0.0058
Brugia malayi Pre-SET motif family protein 0.0251 0.0415 1
Schistosoma mansoni hypothetical protein 0.0019 0.0018 0.1492
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0024 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0024 0.0589
Brugia malayi MH2 domain containing protein 0.001 0.0002 0.0058
Schistosoma mansoni smad1 5 8 and 0.001 0.0002 0.0199
Echinococcus granulosus tar DNA binding protein 0.0076 0.0116 0.0116
Loa Loa (eye worm) hypothetical protein 0.0029 0.0035 0.0833
Schistosoma mansoni hypothetical protein 0.0041 0.0056 0.4592
Loa Loa (eye worm) hypothetical protein 0.0029 0.0035 0.0833
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0021 0.0022 0.5
Toxoplasma gondii exonuclease III APE 0.0023 0.0024 0.5175
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0088 0.2132
Echinococcus granulosus smad 0.001 0.0002 0.0002
Brugia malayi MH1 domain containing protein 0.001 0.0002 0.0058
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0035 0.0123
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0024 0.2006
Loa Loa (eye worm) hypothetical protein 0.006 0.0088 0.2132
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0024 0.0589
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0232 0.5589
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.002 0.002
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.002 0.002
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0024 0.0024
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0024 0.0024
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0232 0.5589
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0116 0.9549
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0116 0.2803
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0024 0.5
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0047 0.0047
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0035 0.2836
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0035 0.0035
Brugia malayi MH2 domain containing protein 0.0144 0.0232 0.5589
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0029 0.0035 0.0035
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0024 0.5175
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0002 0.0002
Plasmodium vivax SET domain protein, putative 0.0036 0.0047 1
Brugia malayi MH1 domain containing protein 0.001 0.0002 0.0058
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0035 0.0833
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0116 0.2803
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0002 0.0002
Mycobacterium ulcerans hypothetical protein 0.0029 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0029 0.0035 0.0833
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0018 0.0018
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0024 0.0024
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0018 0.0438
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0018 0.0018
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0029 0.0035 0.0035
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0035 0.2836
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0056 0.1348
Brugia malayi MH2 domain containing protein 0.001 0.0002 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0116 0.9549
Schistosoma mansoni ap endonuclease 0.0023 0.0024 0.2006
Entamoeba histolytica hypothetical protein 0.0043 0.006 0.4914
Schistosoma mansoni ap endonuclease 0.0023 0.0024 0.2006
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.008 0.0122 0.0122
Schistosoma mansoni hypothetical protein 0.0019 0.0018 0.1492
Brugia malayi hypothetical protein 0.0043 0.006 0.1442
Schistosoma mansoni smad1 5 8 and 0.001 0.0002 0.0199
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0024 0.0024
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.1657 0.1657
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.008 0.0122 0.0122
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0024 0.2006
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0029 0.0035 0.0035
Loa Loa (eye worm) hypothetical protein 0.0041 0.0056 0.1348
Entamoeba histolytica hypothetical protein 0.0043 0.006 0.4914
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0018 0.0018
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0024 0.0515
Brugia malayi RNA binding protein 0.0076 0.0116 0.2803
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0002 0.0002
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0029 0.0035 0.0035
Echinococcus granulosus GPCR family 2 0.0019 0.0018 0.0018
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0088 0.2132
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0035 0.2836
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0029 0.0035 0.0123
Brugia malayi Smad1 0.001 0.0002 0.0058
Schistosoma mansoni Smad4 0.001 0.0002 0.0199
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0035 0.0035
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0024 1
Entamoeba histolytica hypothetical protein 0.0043 0.006 0.4914
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.008 0.0122 1
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0002 0.0058
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.006 0.4914
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0122 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0045 0.0045
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0047 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0018 0.0438
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.008 0.0122 1
Echinococcus multilocularis transcription factor Dp 1 0.0046 0.0064 0.0064
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0122 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0088 0.2132
Loa Loa (eye worm) hypothetical protein 0.0036 0.0047 0.1138
Echinococcus multilocularis Smad4 0.001 0.0002 0.0002
Mycobacterium ulcerans thymidine phosphorylase 0.5867 1 1
Brugia malayi Pre-SET motif family protein 0.0036 0.0047 0.1138
Loa Loa (eye worm) hypothetical protein 0.0019 0.0018 0.0438
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0002 0.0199
Mycobacterium leprae Probable anthranilate phosphoribosyltransferase TrpD 0.1656 0.2812 1
Schistosoma mansoni hypothetical protein 0.0019 0.0018 0.1492
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.002 0.002
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0047 0.0047
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0047 0.3876
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0047 0.0047
Onchocerca volvulus 0.0036 0.0047 0.0996
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0535
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0535
Schistosoma mansoni smad1 5 8 and 0.001 0.0002 0.0199
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0035 0.0833
Entamoeba histolytica acyl-coA synthetase, putative 0.0029 0.0035 0.2836
Loa Loa (eye worm) RNA binding protein 0.0076 0.0116 0.2803
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0535
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0024 0.0515
Onchocerca volvulus 0.0029 0.0035 0.0728
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0116 0.9549
Loa Loa (eye worm) hypothetical protein 0.0021 0.0022 0.0535
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0021 0.0022 0.0022
Entamoeba histolytica acyl-CoA synthetase, putative 0.0029 0.0035 0.2836
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0024 0.5
Echinococcus granulosus transcription factor Dp 1 0.0046 0.0064 0.0064
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0024 0.2006
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0047 0.3876
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0029 0.0035 0.0035
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0116 0.0116
Mycobacterium tuberculosis Probable anthranilate phosphoribosyltransferase TrpD 0.1656 0.2812 0.2812
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.006 0.006
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.006 0.006
Echinococcus multilocularis thymidine phosphorylase 0.5867 1 1
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0116 0.2803
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.008 0.0122 1
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0029 0.0035 0.0035
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0116 0.9549
Leishmania major 4-coumarate:coa ligase-like protein 0.0029 0.0035 0.2836
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0047 0.3876
Echinococcus multilocularis smad 0.001 0.0002 0.0002
Loa Loa (eye worm) Smad1 0.001 0.0002 0.0058
Plasmodium falciparum acyl-CoA synthetase 0.0021 0.0022 0.9078
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0047 0.3876
Mycobacterium ulcerans anthranilate phosphoribosyltransferase 0.1656 0.2812 0.2812
Trichomonas vaginalis set domain proteins, putative 0.0286 0.0474 1
Mycobacterium tuberculosis Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase) 0.5867 1 1
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.008 0.0122 0.2936
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0024 0.2006
Onchocerca volvulus 0.0286 0.0474 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0022 0.0022
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0018 0.0438
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0024 0.2006
Brugia malayi TAR-binding protein 0.0076 0.0116 0.2803
Schistosoma mansoni hypothetical protein 0.0043 0.006 0.4914
Schistosoma mansoni smad 0.001 0.0002 0.0199
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0002 0.0002
Plasmodium vivax acyl-CoA synthetase, putative 0.0021 0.0022 0.4698
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.002 0.002 0.002
Brugia malayi AMP-binding enzyme family protein 0.0029 0.0035 0.0833
Entamoeba histolytica hypothetical protein 0.0043 0.006 0.4914
Echinococcus multilocularis GPCR, family 2 0.0019 0.0018 0.0018
Mycobacterium ulcerans acyl-CoA synthetase 0.0029 0.0035 0.0035
Echinococcus granulosus Smad4 0.001 0.0002 0.0002
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.008 0.0122 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.008 0.0122 0.2936
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.0415 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0116 0.9549
Schistosoma mansoni hypothetical protein 0.0019 0.0018 0.1492

Activities

No activities found for this compound.

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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