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

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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