Detailed information for compound 1429667

Basic information

Technical information
  • TDR Targets ID: 1429667
  • Name: N-ethyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)m ethyl]pyridine-4-carboxamide
  • MW: 321.373 | Formula: C19H19N3O2
  • H donors: 1 H acceptors: 4 LogP: 2.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCN(C(=O)c1ccncc1)Cc1cc2ccc(cc2nc1O)C
  • InChi: 1S/C19H19N3O2/c1-3-22(19(24)14-6-8-20-9-7-14)12-16-11-15-5-4-13(2)10-17(15)21-18(16)23/h4-11H,3,12H2,1-2H3,(H,21,23)
  • InChiKey: RZEYQOJPWQUGCR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-ethyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-pyridinecarboxamide
  • N-ethyl-N-[(2-keto-7-methyl-1H-quinolin-3-yl)methyl]isonicotinamide
  • SMR000045100
  • ZINC00540842
  • BAS 06012815
  • N-Ethyl-N-(2-hydroxy-7-methyl-quinolin-3-ylmethyl)-isonicotinamide
  • STOCK4S-59967
  • MLS000040550

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 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
Schistosoma mansoni ap endonuclease 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 japonicum ko:K10772 AP endonuclease 2, 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
Leishmania major apurinic/apyrimidinic endonuclease-redox 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical 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
Brugia malayi exodeoxyribonuclease III family protein 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
Schistosoma mansoni ap endonuclease 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
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Treponema pallidum exodeoxyribonuclease (exoA) 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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Loa Loa (eye worm) exodeoxyribonuclease III family 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Toxoplasma gondii exonuclease III APE 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Trichomonas vaginalis bromodomain containing protein, putative 0.0368 0.3495 0.5939
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Plasmodium falciparum bromodomain protein 2, putative 0.0039 0 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Plasmodium vivax SET domain containing protein 0.0039 0 0.5
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0039 0 0.5
Loa Loa (eye worm) bromodomain containing protein 0.0264 0.2389 0.4061
Loa Loa (eye worm) hypothetical protein 0.0592 0.5884 1
Entamoeba histolytica bromodomain-containing protein 0.0264 0.2389 1
Trypanosoma cruzi Bromodomain, putative 0.0039 0 0.5
Brugia malayi hypothetical protein 0.0225 0.197 0.3349
Trichomonas vaginalis conserved hypothetical protein 0.0264 0.2389 0.4061
Trichomonas vaginalis bromodomain-containing protein 4, brd4, putative 0.0264 0.2389 0.4061
Brugia malayi Bromodomain containing protein 0.0592 0.5884 1
Trypanosoma cruzi bromodomain-containing protein 3 0.0039 0 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Trichomonas vaginalis bromodomain-containing protein, putative 0.0592 0.5884 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0368 0.3495 0.5939
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Schistosoma mansoni bromodomain-containing protein 3 brd3 0.0592 0.5884 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Plasmodium vivax hypothetical protein, conserved 0.0039 0 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Leishmania major hypothetical protein, conserved 0.0039 0 0.5
Trypanosoma cruzi Bromodomain, putative 0.0039 0 0.5
Echinococcus multilocularis Bromodomain containing protein 0.0264 0.2389 0.2389
Giardia lamblia Kinase, putative 0.0264 0.2389 1
Trypanosoma brucei AAA ATPase, putative 0.0039 0.00000035719 1
Plasmodium vivax bromodomain protein, putative 0.0039 0 0.5
Plasmodium falciparum bromodomain protein 1 0.0039 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0328 0.3076 0.5227
Leishmania major DNA-binding protein, putative,predicted bromodomain protein 0.0039 0 0.5
Trichomonas vaginalis bromodomain containing protein, putative 0.0264 0.2389 0.4061
Leishmania major hypothetical protein, conserved 0.0039 0 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Plasmodium vivax conserved Plasmodium protein, unknown function 0.0039 0 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0592 0.5884 1
Loa Loa (eye worm) hypothetical protein 0.0039 0.00000035719 0.00000060703
Brugia malayi Bromodomain containing protein 0.0592 0.5884 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Leishmania major hypothetical protein, conserved,predicted bromodomain protein 0.0039 0 0.5
Plasmodium vivax bromodomain protein, putative 0.0039 0 0.5
Entamoeba histolytica bromodomain-containing protein 0.0264 0.2389 1
Brugia malayi ATPase, AAA family protein 0.0039 0.00000035719 0.00000060703
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Trichomonas vaginalis bromodomain-containing protein, putative 0.0368 0.3495 0.5939
Trypanosoma cruzi hypothetical protein, conserved 0.0039 0 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Trypanosoma cruzi Bromodomain factor 1 0.0039 0 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0368 0.3495 0.5939
Entamoeba histolytica bromodomain-containing protein 0.0264 0.2389 1
Trypanosoma cruzi Bromodomain, putative 0.0039 0 0.5
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Trypanosoma cruzi bromodomain factor 2 protein 0.0039 0 0.5
Echinococcus granulosus ATPase family AAA domain containing protein 2B 0.0039 0.00000035719 0.00000060703
Trichomonas vaginalis conserved hypothetical protein 0.0368 0.3495 0.5939
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Echinococcus granulosus bromodomain containing 2 0.0592 0.5884 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Echinococcus multilocularis ATPase family AAA domain containing protein 2B 0.0039 0.00000035719 0.00000035719
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Plasmodium vivax bromodomain protein, putative 0.0039 0 0.5
Echinococcus multilocularis bromodomain containing 2 0.0592 0.5884 0.5884
Trypanosoma cruzi Bromodomain, putative 0.0039 0 0.5
Toxoplasma gondii bromodomain-containing protein 0.0264 0.2389 1
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0264 0.2389 0.4061
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Plasmodium falciparum bromodomain protein, putative 0.0039 0 0.5
Onchocerca volvulus 0.0264 0.2389 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0264 0.2389 0.4061
Trypanosoma cruzi Bromodomain, putative 0.0039 0 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.2387 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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