Detailed information for compound 1432011

Basic information

Technical information
  • TDR Targets ID: 1432011
  • Name: N-[3-(3-methoxyphenyl)-1-methyl-4-oxoquinolin -2-yl]butanamide
  • MW: 350.411 | Formula: C21H22N2O3
  • H donors: 1 H acceptors: 2 LogP: 3.52 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCC(=O)Nc1c(c2cccc(c2)OC)c(=O)c2c(n1C)cccc2
  • InChi: 1S/C21H22N2O3/c1-4-8-18(24)22-21-19(14-9-7-10-15(13-14)26-3)20(25)16-11-5-6-12-17(16)23(21)2/h5-7,9-13H,4,8H2,1-3H3,(H,22,24)
  • InChiKey: DUHYEIYNWDUVNQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(3-methoxyphenyl)-1-methyl-4-oxo-2-quinolyl]butanamide
  • N-[4-keto-3-(3-methoxyphenyl)-1-methyl-2-quinolyl]butyramide
  • N-[3-(3-methoxyphenyl)-1-methyl-4-oxo-quinolin-2-yl]butanamide
  • ZINC05271534
  • STOCK5S-72968

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
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
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.053 0.1365
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0005 0.0039 0.0265
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0377 0.0941
Schistosoma mansoni ap endonuclease 0.0023 0.1486 0.268
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.1486 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.363 0.6549
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.03 0.1969
Schistosoma mansoni smad 0.0009 0.0377 0.068
Echinococcus granulosus Smad4 0.0009 0.0377 0.0941
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.1486 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.363 1
Schistosoma mansoni nocturnin 0.0005 0.0039 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.03 0.1969
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0005 0.007 0.0127
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.1486 0.4028
Trichomonas vaginalis helicase, putative 0.0008 0.03 0.1969
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0361 0.0896
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0361 0.0896
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.363 0.6549
Brugia malayi CXXC zinc finger family protein 0.0035 0.2441 0.2411
Echinococcus multilocularis Smad4 0.0009 0.0377 0.0941
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.03 0.1969
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.03 0.1969
Schistosoma mansoni cpg binding protein 0.0037 0.2598 0.4688
Brugia malayi MH1 domain containing protein 0.0005 0.0063 0.0023
Echinococcus multilocularis cpg binding protein 0.0037 0.2598 0.7127
Schistosoma mansoni smad1 5 8 and 0.0009 0.0377 0.068
Echinococcus granulosus smad 0.0009 0.0377 0.0941
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.03 0.1969
Brugia malayi MH2 domain containing protein 0.0009 0.0377 0.0339
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0005 0.0039 0.0265
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0005 0.0039 0.0071
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.03 0.1969
Schistosoma mansoni cript-related 0.0005 0.0039 0.0071
Trichomonas vaginalis Phospholipase C precursor, putative 0.0005 0.0039 0.0199
Echinococcus multilocularis smad 0.0009 0.0377 0.0941
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0377 0.0339
Loa Loa (eye worm) nuclear factor I 0.0005 0.0063 0.0023
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.03 0.1969
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.1486 1
Plasmodium falciparum endonuclease/exonuclease/phosphatase family protein, putative 0.0005 0.0039 0.0265
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.03 0.1969
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1486 1
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0039 0.0199
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.03 0.1969
Loa Loa (eye worm) histone methyltransferase 0.0011 0.053 0.0492
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.4916 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.005 0.363 0.6549
Schistosoma mansoni Smad4 0.0009 0.0377 0.068
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0519 0.0481
Plasmodium falciparum DNase I-like protein, putative 0.0005 0.0039 0.0265
Brugia malayi MH1 domain containing protein 0.0009 0.0377 0.0339
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.053 0.1365
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.03 0.1969
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.03 0.1969
Brugia malayi MH1 domain containing protein 0.0005 0.0063 0.0023
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0377 0.0339
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.1486 0.5
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0039 0.0199
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.005 0.363 0.3605
Loa Loa (eye worm) hypothetical protein 0.0005 0.0063 0.0023
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0005 0.0039 0.0199
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0039 0.0199
Plasmodium falciparum carbon catabolite repressor protein 4, putative 0.0005 0.0039 0.0265
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1486 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.03 0.1969
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.03 0.1969
Brugia malayi MH1 domain containing protein 0.0009 0.0377 0.0339
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0377 0.0941
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0005 0.0039 0.0199
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.03 0.1969
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0005 0.0039 0.0265
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.1486 0.1452
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0005 0.0039 0.0199
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.1486 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.363 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.005 0.363 0.3605
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.2441 0.2411
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.1486 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.5543 1
Brugia malayi Smad1 0.0009 0.0377 0.0339
Schistosoma mansoni smad1 5 8 and 0.0009 0.0377 0.068
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0377 0.068
Schistosoma mansoni hypothetical protein 0.0005 0.0039 0.0071
Schistosoma mansoni synaptojanin 0.0005 0.0039 0.0071
Schistosoma mansoni cpg binding protein 0.0037 0.2598 0.4688
Toxoplasma gondii exonuclease III APE 0.0023 0.1486 0.2966
Loa Loa (eye worm) Smad1 0.0009 0.0377 0.0339
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0377 0.0941
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.03 0.1969
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.005 0.363 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0377 0.0941
Echinococcus granulosus cpg binding protein 0.0037 0.2598 0.7127
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.005 0.363 1
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1486 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.03 0.1969
Schistosoma mansoni carbon catabolite repressor protein 0.0005 0.0039 0.0071
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.1486 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.1486 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.1486 1
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0005 0.0039 0.0265
Plasmodium falciparum exodeoxyribonuclease III, putative 0.0005 0.0039 0.0265
Plasmodium falciparum carbon catabolite repressor protein 4, putative 0.0005 0.0039 0.0265
Onchocerca volvulus 0.0035 0.2441 1
Schistosoma mansoni ap endonuclease 0.0023 0.1486 0.268
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1486 1
Entamoeba histolytica sphingomyelinase C precursor, putative 0.0005 0.0039 0.0265
Schistosoma mansoni synaptojanin 0.0005 0.0039 0.0071
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.1486 0.4028
Schistosoma mansoni cpg binding protein 0.0035 0.2441 0.4403
Entamoeba histolytica inositol polyphosphate-5-phosphatase, putative 0.0005 0.0039 0.0265
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0005 0.0039 0.0199
Loa Loa (eye worm) transcription factor SMAD2 0.0129 1 1
Entamoeba histolytica endonuclease/exonuclease/phosphatase domain containing protein 0.0005 0.0039 0.0265
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0005 0.0039 0.0265
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0005 0.0039 0.0199
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0361 0.0896
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.1486 1
Entamoeba histolytica inositol polyphosphate 5-phosphatase, putative 0.0005 0.0039 0.0265
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.1486 0.1452
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0005 0.0039 0.0265
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.03 0.1969
Schistosoma mansoni smad1 5 8 and 0.0009 0.0377 0.068
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0361 0.0896
Brugia malayi MH2 domain containing protein 0.0009 0.0377 0.0339
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0361 0.0651
Schistosoma mansoni neutral sphingomyelinase 0.0005 0.0039 0.0071
Entamoeba histolytica endonuclease/exonuclease/phosphatase family protein 0.0005 0.0039 0.0265

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0001 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 141.2538 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the Phosphatase Activity of Eya2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488939] 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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