Detailed information for compound 1424324

Basic information

Technical information
  • TDR Targets ID: 1424324
  • Name: [2-(4-methylpiperidin-1-yl)-2-oxoethyl] 6-oxo -1-(phenylmethyl)pyridazine-3-carboxylate
  • MW: 369.414 | Formula: C20H23N3O4
  • H donors: 0 H acceptors: 3 LogP: 2.05 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCN(CC1)C(=O)COC(=O)c1ccc(=O)n(n1)Cc1ccccc1
  • InChi: 1S/C20H23N3O4/c1-15-9-11-22(12-10-15)19(25)14-27-20(26)17-7-8-18(24)23(21-17)13-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3
  • InChiKey: GRPKWGOKZMBOLD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • [2-(4-methyl-1-piperidyl)-2-oxo-ethyl] 6-oxo-1-(phenylmethyl)pyridazine-3-carboxylate
  • 6-oxo-1-(phenylmethyl)-3-pyridazinecarboxylic acid [2-(4-methyl-1-piperidinyl)-2-oxoethyl] ester
  • 1-(benzyl)-6-keto-pyridazine-3-carboxylic acid [2-keto-2-(4-methyl-1-piperidyl)ethyl] ester
  • [2-(4-methylpiperidin-1-yl)-2-oxo-ethyl] 6-oxo-1-(phenylmethyl)pyridazine-3-carboxylate

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

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, 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
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Trichomonas vaginalis ap endonuclease, 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
Trypanosoma cruzi 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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 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
Neospora caninum hypothetical protein 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
Entamoeba histolytica exodeoxyribonuclease III, 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
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
Theileria parva hypothetical protein 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
Trypanosoma brucei apurinic/apyrimidinic endonuclease, 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Toxoplasma gondii exonuclease III APE 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Plasmodium berghei 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
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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
Schistosoma mansoni tar DNA-binding protein 0.0198 0.5375 0.8034
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0112 0.2849 0.5301
Echinococcus granulosus Smad4 0.0016 0.0014 0.0027
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0208 0.0208
Schistosoma mansoni hypothetical protein 0.0112 0.2849 0.4259
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0208 0.5
Schistosoma mansoni ap endonuclease 0.0023 0.0208 0.0311
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0208 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0208 1
Loa Loa (eye worm) Smad1 0.0016 0.0014 0.0014
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0208 0.0208
Echinococcus granulosus tar DNA binding protein 0.0198 0.5375 1
Echinococcus multilocularis GPCR, family 2 0.0112 0.2849 0.5301
Brugia malayi MH2 domain containing protein 0.0016 0.0014 0.0014
Schistosoma mansoni smad1 5 8 and 0.0016 0.0014 0.0021
Loa Loa (eye worm) hypothetical protein 0.0112 0.2849 0.2849
Brugia malayi latrophilin 2 splice variant baaae 0.0243 0.669 0.669
Entamoeba histolytica hypothetical protein 0.011 0.279 1
Echinococcus granulosus TGF beta signal transducer SmadC 0.0016 0.0014 0.0027
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0208 0.5
Loa Loa (eye worm) TAR-binding protein 0.0198 0.5375 0.5375
Schistosoma mansoni hypothetical protein 0.011 0.279 0.417
Schistosoma mansoni smad 0.0016 0.0014 0.0021
Echinococcus multilocularis Smad4 0.0016 0.0014 0.0027
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0208 0.5
Schistosoma mansoni tar DNA-binding protein 0.0198 0.5375 0.8034
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0208 0.5
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0208 0.0388
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0208 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0016 0.0014 0.0021
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0016 0.0014 0.0027
Schistosoma mansoni tar DNA-binding protein 0.0198 0.5375 0.8034
Brugia malayi Latrophilin receptor protein 2 0.0112 0.2849 0.2849
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0112 0.2849 0.2849
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0112 0.2849 0.5301
Brugia malayi MH1 domain containing protein 0.0016 0.0014 0.0014
Schistosoma mansoni hypothetical protein 0.0112 0.2849 0.4259
Schistosoma mansoni Smad4 0.0016 0.0014 0.0021
Echinococcus multilocularis mothers against decapentaplegic 5 0.0016 0.0014 0.0027
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.011 0.279 0.5191
Echinococcus granulosus mothers against decapentaplegic 5 0.0016 0.0014 0.0027
Loa Loa (eye worm) MH2 domain-containing protein 0.0237 0.6512 0.6512
Brugia malayi Smad1 0.0016 0.0014 0.0014
Schistosoma mansoni smad1 5 8 and 0.0016 0.0014 0.0021
Loa Loa (eye worm) hypothetical protein 0.0243 0.669 0.669
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0198 0.5375 0.5375
Toxoplasma gondii exonuclease III APE 0.0023 0.0208 1
Echinococcus granulosus smad 0.0016 0.0014 0.0027
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0208 1
Loa Loa (eye worm) RNA binding protein 0.0198 0.5375 0.5375
Schistosoma mansoni hypothetical protein 0.0112 0.2849 0.4259
Loa Loa (eye worm) MH2 domain-containing protein 0.0016 0.0014 0.0014
Loa Loa (eye worm) transcription factor SMAD2 0.0237 0.6512 0.6512
Entamoeba histolytica hypothetical protein 0.011 0.279 1
Brugia malayi RNA recognition motif domain containing protein 0.0198 0.5375 0.5375
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0208 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0112 0.2849 0.5301
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0208 0.5
Schistosoma mansoni smad1 5 8 and 0.0016 0.0014 0.0021
Brugia malayi Calcitonin receptor-like protein seb-1 0.0355 1 1
Echinococcus granulosus GPCR family 2 0.0112 0.2849 0.5301
Loa Loa (eye worm) latrophilin receptor protein 2 0.0112 0.2849 0.2849
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0112 0.2849 0.5301
Schistosoma mansoni hypothetical protein 0.0112 0.2849 0.4259
Brugia malayi TAR-binding protein 0.0198 0.5375 0.5375
Brugia malayi hypothetical protein 0.011 0.279 0.279
Schistosoma mansoni tar DNA-binding protein 0.0198 0.5375 0.8034
Brugia malayi MH2 domain containing protein 0.0016 0.0014 0.0014
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0208 1
Loa Loa (eye worm) MH1 domain-containing protein 0.0016 0.0014 0.0014
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0208 0.0388
Echinococcus multilocularis tar DNA binding protein 0.0198 0.5375 1
Brugia malayi RNA binding protein 0.0198 0.5375 0.5375
Schistosoma mansoni transcription factor LCR-F1 0.011 0.279 0.417
Entamoeba histolytica hypothetical protein 0.011 0.279 1
Schistosoma mansoni ap endonuclease 0.0023 0.0208 0.0311
Brugia malayi MH1 domain containing protein 0.0016 0.0014 0.0014
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0208 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.011 0.279 0.5191
Entamoeba histolytica hypothetical protein 0.011 0.279 1
Schistosoma mansoni tar DNA-binding protein 0.0198 0.5375 0.8034
Brugia malayi MH2 domain containing protein 0.0237 0.6512 0.6512
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0208 0.5
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0355 1 1
Echinococcus multilocularis smad 0.0016 0.0014 0.0027
Loa Loa (eye worm) hypothetical protein 0.0355 1 1
Schistosoma mansoni hypothetical protein 0.0243 0.669 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.9728 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 29.081 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) 56.2341 uM PubChem BioAssay. qHTS for Small Molecule Inhibitors of the ERG Ets/DNA interaction. (Class of assay: confirmatory) 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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