Detailed information for compound 1480407

Basic information

Technical information
  • TDR Targets ID: 1480407
  • Name: 2-(6-methoxyquinolin-1-ium-1-yl)-1-phenyletha none
  • MW: 278.325 | Formula: C18H16NO2+
  • H donors: 0 H acceptors: 1 LogP: 3.8 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc2c(c1)ccc[n+]2CC(=O)c1ccccc1
  • InChi: 1S/C18H16NO2/c1-21-16-9-10-17-15(12-16)8-5-11-19(17)13-18(20)14-6-3-2-4-7-14/h2-12H,13H2,1H3/q+1
  • InChiKey: UVNDTFNXCYXKAH-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-(6-methoxyquinolin-1-ium-1-yl)-1-phenyl-ethanone
  • 2-(6-methoxy-1-quinolin-1-iumyl)-1-phenylethanone
  • CBDivE_000157

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
Brugia malayi Cytochrome P450 family protein 0.0054 0.0473 0.0885
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0088 0.0121
Brugia malayi MH2 domain containing protein 0.0025 0.0152 0.0284
Schistosoma mansoni smad 0.0025 0.0152 0.021
Schistosoma mansoni blooms syndrome DNA helicase 0.0391 0.4191 0.5793
Echinococcus granulosus bloom syndrome protein 0.0496 0.534 0.7382
Loa Loa (eye worm) hypothetical protein 0.0205 0.2132 0.2132
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0564 0.078
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0331 0.3527 1
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0025 0.0152 0.0178
Onchocerca volvulus Huntingtin homolog 0.0119 0.1183 1
Toxoplasma gondii LsmAD domain-containing protein 0.005 0.043 0.1053
Schistosoma mansoni hypothetical protein 0.0169 0.1738 0.2402
Schistosoma mansoni loxhd1 0.0019 0.0088 0.0121
Brugia malayi hypothetical protein 0.005 0.043 0.0806
Loa Loa (eye worm) hypothetical protein 0.0119 0.1183 0.1183
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0881 0.1218
Echinococcus granulosus dnaJ subfamily B 0.0419 0.449 0.6207
Loa Loa (eye worm) hypothetical protein 0.0169 0.1738 0.1738
Echinococcus multilocularis geminin 0.0355 0.3789 0.4446
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0114 0.1135 0.1331
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0205 0.2132 0.3993
Schistosoma mansoni cytochrome P450 0.0017 0.0066 0.0091
Echinococcus granulosus RUN 0.0019 0.0088 0.0121
Schistosoma mansoni hypothetical protein 0.0106 0.1048 0.1449
Echinococcus granulosus mothers against decapentaplegic 5 0.0025 0.0152 0.021
Plasmodium vivax ataxin-2 like protein, putative 0.005 0.043 0.0984
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0104 0.1027 0.352
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.043 0.0747
Echinococcus granulosus geminin 0.0355 0.3789 0.5238
Echinococcus multilocularis smad 0.0025 0.0152 0.0178
Schistosoma mansoni lipoxygenase 0.008 0.0756 0.1045
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0335 0.3571 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0155 0.159 0.159
Giardia lamblia Sgs1 DNA helicase, putative 0.0205 0.2132 0.5
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.006 0.0541 0.0988
Onchocerca volvulus 0.0029 0.0201 0.17
Schistosoma mansoni lipoxygenase 0.0114 0.1135 0.1568
Echinococcus granulosus cytochrome P450 2K1 0.0017 0.0066 0.0091
Onchocerca volvulus 0.0019 0.0088 0.0739
Schistosoma mansoni hypothetical protein 0.0019 0.0088 0.0121
Brugia malayi latrophilin 2 splice variant baaae 0.0106 0.1048 0.1963
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0088 0.0121
Plasmodium falciparum ataxin-2 like protein, putative 0.005 0.043 0.0747
Trypanosoma brucei ribosomal RNA processing protein 6 0.0061 0.0555 0.179
Brugia malayi MH1 domain containing protein 0.0025 0.0152 0.0284
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0049 0.0419 0.0492
Echinococcus granulosus microtubule associated protein 2 0.0668 0.7234 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0881 0.1218
Mycobacterium ulcerans hypothetical protein 0.0061 0.0555 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0205 0.2132 0.2948
Schistosoma mansoni polymyositis/scleroderma autoantigen-related 0.0061 0.0555 0.0767
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0169 0.1738 0.2039
Mycobacterium leprae conserved hypothetical protein 0.0061 0.0555 1
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0088 0.0088
Schistosoma mansoni polycystin 1-related 0.0019 0.0088 0.0121
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0436 0.4677 1
Echinococcus multilocularis survival motor neuron protein 1 0.0229 0.2398 0.2814
Brugia malayi hypothetical protein 0.0119 0.1183 0.2216
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0881 0.1218
Loa Loa (eye worm) hypothetical protein 0.0104 0.1027 0.1027
Loa Loa (eye worm) Smad1 0.0025 0.0152 0.0152
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0205 0.2132 0.2502
Brugia malayi MH1 domain containing protein 0.0014 0.0029 0.0055
Trypanosoma cruzi ribosomal RNA processing protein 6, putative 0.0061 0.0555 0.179
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0881 0.0881
Onchocerca volvulus Huntingtin homolog 0.0119 0.1183 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0261 0.0306
Trypanosoma brucei PAB1-binding protein , putative 0.005 0.043 0.1335
Brugia malayi hypothetical protein 0.0019 0.0088 0.0164
Echinococcus multilocularis GPCR, family 2 0.0049 0.0419 0.0492
Mycobacterium tuberculosis Conserved hypothetical alanine rich protein 0.0061 0.0555 1
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0169 0.1738 0.2402
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0205 0.2132 0.597
Brugia malayi 3'-5' exonuclease family protein 0.0061 0.0555 0.1039
Trichomonas vaginalis DNA helicase recq1, putative 0.0496 0.534 1
Toxoplasma gondii 3'-5' exonuclease domain-containing protein 0.0061 0.0555 0.1412
Loa Loa (eye worm) hypothetical protein 0.005 0.043 0.043
Brugia malayi Smad1 0.0025 0.0152 0.0284
Schistosoma mansoni apoptosis regulator bax 0.0169 0.1738 0.2402
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0049 0.0419 0.0785
Echinococcus granulosus TGF beta signal transducer SmadC 0.0025 0.0152 0.021
Loa Loa (eye worm) 3'-5' exonuclease 0.0061 0.0555 0.0555
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0881 0.1034
Mycobacterium tuberculosis Probable ATP-dependent DNA helicase II UvrD2 0.006 0.0541 0.9714
Brugia malayi cytochrome P450 0.0017 0.0066 0.0123
Schistosoma mansoni hypothetical protein 0.0047 0.0392 0.0541
Brugia malayi MH2 domain containing protein 0.0025 0.0152 0.0284
Echinococcus granulosus Helicase RNase D C terminal HRDC domain 0.0061 0.0555 0.0767
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0205 0.2132 0.3993
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0023 0.0125 0.0147
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0049 0.0419 0.0492
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0088 0.0121
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0205 0.2132 0.2132
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0023 0.0125 0.0173
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0169 0.1738 0.2402
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0159 0.0342
Schistosoma mansoni hypothetical protein 0.0023 0.0125 0.0173
Schistosoma mansoni microtubule-associated protein tau 0.0668 0.7234 1
Brugia malayi MH1 domain containing protein 0.0025 0.0152 0.0284
Loa Loa (eye worm) hypothetical protein 0.0229 0.2398 0.2398
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0088 0.0103
Brugia malayi hypothetical protein 0.0032 0.0234 0.0439
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0169 0.1738 0.2039
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0491 0.1228
Schistosoma mansoni hypothetical protein 0.0035 0.0261 0.0361
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0049 0.0419 0.058
Loa Loa (eye worm) MH2 domain-containing protein 0.0366 0.3906 0.3906
Echinococcus multilocularis bloom syndrome protein 0.0496 0.534 0.6266
Loa Loa (eye worm) hypothetical protein 0.0155 0.159 0.159
Schistosoma mansoni cpg binding protein 0.0031 0.022 0.0304
Schistosoma mansoni hypothetical protein 0.0355 0.3789 0.5238
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0785 0.8522 1
Schistosoma mansoni rab6-interacting 0.0019 0.0088 0.0121
Schistosoma mansoni hypothetical protein 0.0049 0.0419 0.058
Echinococcus multilocularis RUN 0.0019 0.0088 0.0103
Entamoeba histolytica recQ family helicase, putative 0.0265 0.2796 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0159 0.0159
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0881 0.1649
Leishmania major cytochrome p450-like protein 0.0026 0.0159 0.0342
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.043 0.1335
Brugia malayi MH2 domain containing protein 0.0366 0.3906 0.7315
Brugia malayi hypothetical protein 0.0035 0.0261 0.0488
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0114 0.1135 0.1568
Echinococcus multilocularis dnaJ subfamily B 0.0419 0.449 0.5269
Brugia malayi Doublecortin family protein 0.0019 0.0088 0.0164
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0265 0.2796 1
Mycobacterium ulcerans ATP-dependent DNA helicase II UvrD2 0.006 0.0541 0.9714
Echinococcus granulosus Smad4 0.0025 0.0152 0.021
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.0159 0.1911
Schistosoma mansoni smad1 5 8 and 0.0025 0.0152 0.021
Brugia malayi hypothetical protein 0.0229 0.2398 0.4491
Entamoeba histolytica recQ family helicase, putative 0.01 0.0983 0.2849
Plasmodium vivax ATP-dependent DNA helicase Q1, putative 0.01 0.0983 0.2571
Echinococcus granulosus GPCR family 2 0.0049 0.0419 0.058
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0104 0.1027 0.2776
Schistosoma mansoni cpg binding protein 0.0029 0.0201 0.0278
Schistosoma mansoni hypothetical protein 0.0169 0.1738 0.2402
Echinococcus granulosus cpg binding protein 0.0031 0.022 0.0304
Echinococcus multilocularis microtubule associated protein 2 0.0668 0.7234 0.8489
Loa Loa (eye worm) nuclear factor I 0.0014 0.0029 0.0029
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0261 0.0361
Entamoeba histolytica exosome component 10, putative 0.0061 0.0555 0.1159
Echinococcus granulosus survival motor neuron protein 1 0.0229 0.2398 0.3315
Brugia malayi Cytochrome P450 family protein 0.0026 0.0159 0.0298
Schistosoma mansoni smad1 5 8 and 0.0025 0.0152 0.021
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0201 0.0201
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0392 0.0733
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0088 0.0103
Entamoeba histolytica recQ family DNA helicase 0.0104 0.1027 0.3021
Onchocerca volvulus 0.0019 0.0088 0.0739
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0881 0.1218
Treponema pallidum ATP-dependent DNA helicase 0.0104 0.1027 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.0265 0.2796 0.4699
Schistosoma mansoni hypothetical protein 0.0169 0.1738 0.2402
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0205 0.2132 0.4456
Leishmania major exosome subunit rrp6p homologue, putative 0.0061 0.0555 0.179
Trichomonas vaginalis DNA helicase recq, putative 0.0496 0.534 1
Echinococcus multilocularis mothers against decapentaplegic 5 0.0025 0.0152 0.0178
Schistosoma mansoni rab6-interacting 0.0019 0.0088 0.0121
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0555 0.0029
Loa Loa (eye worm) transcription factor SMAD2 0.0366 0.3906 0.3906
Loa Loa (eye worm) latrophilin receptor protein 2 0.0049 0.0419 0.0419
Schistosoma mansoni DNA helicase recq1 0.0205 0.2132 0.2948
Echinococcus multilocularis 0.0017 0.0066 0.0077
Brugia malayi hypothetical protein 0.0019 0.0088 0.0164
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0088 0.0103
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0155 0.159 0.2978
Schistosoma mansoni Smad4 0.0025 0.0152 0.021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0881 0.1034
Schistosoma mansoni hypothetical protein 0.0049 0.0419 0.058
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0025 0.0152 0.021
Schistosoma mansoni hypothetical protein 0.0017 0.0066 0.0091
Loa Loa (eye worm) cytochrome P450 0.0017 0.0066 0.0066
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0159 0.0342
Brugia malayi Bloom's syndrome protein homolog 0.0496 0.534 1
Plasmodium vivax hypothetical protein, conserved 0.006 0.0541 0.1301
Loa Loa (eye worm) hypothetical protein 0.0014 0.0029 0.0029
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0049 0.0419 0.058
Loa Loa (eye worm) hypothetical protein 0.0119 0.1183 0.1183
Schistosoma mansoni hypothetical protein 0.0049 0.0419 0.058
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0205 0.2132 0.2502
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0169 0.1738 0.3254
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0104 0.1027 0.352
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0265 0.2796 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0881 0.1218
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0205 0.2132 0.597
Loa Loa (eye worm) apoptosis regulator protein 0.0169 0.1738 0.1738
Brugia malayi CXXC zinc finger family protein 0.0029 0.0201 0.0377
Schistosoma mansoni hypothetical protein 0.0049 0.0419 0.058
Schistosoma mansoni smad1 5 8 and 0.0025 0.0152 0.021
Schistosoma mansoni hypothetical protein 0.0419 0.449 0.6207
Echinococcus multilocularis Helicase RNase D C terminal, HRDC domain 0.0061 0.0555 0.0651
Loa Loa (eye worm) hypothetical protein 0.0106 0.1048 0.1048
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0159 0.0159
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0159 0.0159
Echinococcus granulosus smad 0.0025 0.0152 0.021
Loa Loa (eye worm) MH2 domain-containing protein 0.0025 0.0152 0.0152
Brugia malayi Latrophilin receptor protein 2 0.0049 0.0419 0.0785
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0169 0.1738 0.2402
Schistosoma mansoni hypothetical protein 0.0355 0.3789 0.5238
Brugia malayi Calcitonin receptor-like protein seb-1 0.0155 0.159 0.2978
Onchocerca volvulus 0.0047 0.0392 0.3308
Echinococcus multilocularis cpg binding protein 0.0031 0.022 0.0258
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0261 0.0361
Brugia malayi MH1 domain containing protein 0.0014 0.0029 0.0055
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0265 0.2796 1
Loa Loa (eye worm) RecQ helicase 0.0496 0.534 0.534
Echinococcus multilocularis Smad4 0.0025 0.0152 0.0178
Loa Loa (eye worm) cytochrome P450 family protein 0.0054 0.0473 0.0473
Schistosoma mansoni cpg binding protein 0.0031 0.022 0.0304
Schistosoma mansoni blooms syndrome DNA helicase 0.0104 0.1027 0.1419
Loa Loa (eye worm) hypothetical protein 0.0019 0.0088 0.0088
Loa Loa (eye worm) MH1 domain-containing protein 0.0025 0.0152 0.0152
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0205 0.2132 0.2948
Trypanosoma cruzi PAB1-binding protein , putative 0.005 0.043 0.1335
Brugia malayi Cytochrome P450 family protein 0.0026 0.0159 0.0298
Leishmania major hypothetical protein, conserved 0.005 0.043 0.1335
Trypanosoma brucei cytochrome P450, putative 0.0026 0.0159 0.0342
Schistosoma mansoni DNA helicase recq5 0.0205 0.2132 0.2948
Schistosoma mansoni survival motor neuron protein 0.0047 0.0392 0.0541
Loa Loa (eye worm) hypothetical protein 0.0049 0.0419 0.0419
Plasmodium vivax exosome complex exonuclease RRP6, putative 0.0061 0.0555 0.1341
Brugia malayi Cytochrome P450 family protein 0.0017 0.0066 0.0123
Loa Loa (eye worm) hypothetical protein 0.0019 0.0088 0.0088

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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