Detailed information for compound 1376933

Basic information

Technical information
  • TDR Targets ID: 1376933
  • Name: 6-methyl-4-[(4-methylphenyl)methyl]-2H-pyrida zin-3-one
  • MW: 214.263 | Formula: C13H14N2O
  • H donors: 1 H acceptors: 3 LogP: 2.51 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)Cc1cc(C)nnc1O
  • InChi: 1S/C13H14N2O/c1-9-3-5-11(6-4-9)8-12-7-10(2)14-15-13(12)16/h3-7H,8H2,1-2H3,(H,15,16)
  • InChiKey: QGUZPMBEHDBDDS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-methyl-4-(4-methylbenzyl)-2H-pyridazin-3-one
  • ZINC00079027
  • Maybridge4_003363
  • RH 00270
  • 6-methyl-4-(4-methylbenzyl)-2,3-dihydropyridazin-3-one
  • MLS000850712
  • SMR000456729

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references
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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative 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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
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 donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 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 major apurinic/apyrimidinic endonuclease-redox 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,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
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Brugia malayi exodeoxyribonuclease III family protein 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
Theileria parva hypothetical protein 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
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trichomonas vaginalis ap endonuclease, 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
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease 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
Cryptosporidium parvum conserved hypothetical protein 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative 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 braziliensis apurinic/apyrimidinic endonuclease-redox 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
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 Eukaryotic aspartyl protease family protein 0.0048 0.0295 1
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0112 0.0212
Toxoplasma gondii aspartyl protease ASP1 0.0048 0.0295 0.0694
Loa Loa (eye worm) hypothetical protein 0.003 0.0112 0.306
Toxoplasma gondii aspartyl protease ASP3 0.0387 0.3825 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0295 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0048 0.0295 0.06
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0048 0.0295 0.0694
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0048 0.0295 0.06
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0048 0.0295 1
Plasmodium vivax plasmepsin IV, putative 0.0048 0.0295 0.0694
Toxoplasma gondii aspartyl protease 0.0048 0.0295 0.0694
Plasmodium falciparum plasmepsin I 0.0048 0.0295 0.0694
Onchocerca volvulus 0.0048 0.0295 0.5
Brugia malayi aspartic protease BmAsp-1, identical 0.0048 0.0295 1
Plasmodium falciparum plasmepsin VI 0.0048 0.0295 0.0694
Loa Loa (eye worm) aspartyl protease 6 0.0048 0.0295 1
Plasmodium falciparum plasmepsin X 0.0387 0.3825 1
Plasmodium vivax aspartyl proteinase, putative 0.0048 0.0295 0.0694
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0112 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0032 0.5
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0048 0.0295 1
Plasmodium falciparum plasmepsin VIII, putative 0.0048 0.0295 0.0694
Plasmodium falciparum plasmepsin IX 0.0387 0.3825 1
Brugia malayi hypothetical protein 0.0048 0.0295 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0048 0.0295 0.06
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0048 0.0295 0.06
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0048 0.0295 0.06
Plasmodium vivax aspartyl protease, putative 0.0048 0.0295 0.0694
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0048 0.0295 0.0694
Plasmodium vivax aspartyl protease, putative 0.0387 0.3825 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0032 0.5
Schistosoma mansoni cathepsin D (A01 family) 0.0443 0.4414 1
Brugia malayi hypothetical protein 0.003 0.0112 0.3811
Plasmodium vivax plasmepsin V, putative 0.0048 0.0295 0.0694
Plasmodium falciparum plasmepsin VII 0.0048 0.0295 0.0694
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0112 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0048 0.0295 0.06
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0048 0.0295 1
Schistosoma mansoni memapsin-2 (A01 family) 0.0048 0.0295 0.06
Plasmodium vivax aspartyl proteinase, putative 0.0048 0.0295 0.0694
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0112 0.0212
Brugia malayi aspartic protease BmAsp-2, identical 0.0048 0.0295 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0048 0.0295 0.06
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0048 0.0295 1
Plasmodium falciparum plasmepsin V 0.0048 0.0295 0.0694
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0048 0.0295 0.0264
Loa Loa (eye worm) hypothetical protein 0.0048 0.0295 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0112 0.0212
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0032 0.1081
Plasmodium falciparum plasmepsin II 0.0048 0.0295 0.0694
Schistosoma mansoni cathepsin D (A01 family) 0.0443 0.4414 1
Plasmodium falciparum plasmepsin III 0.0048 0.0295 0.0694
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0112 0.0212
Onchocerca volvulus 0.0048 0.0295 0.5
Brugia malayi hypothetical protein 0.0048 0.0295 1
Brugia malayi Pepsin A precursor 0.0048 0.0295 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0048 0.0295 0.06
Loa Loa (eye worm) hypothetical protein 0.0048 0.0295 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0032 0.5
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0032 0.5
Plasmodium falciparum plasmepsin IV 0.0048 0.0295 0.0694
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0112 1
Leishmania major hypothetical protein, conserved 0.003 0.0112 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0032 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0032 0.5
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0048 0.0295 0.06
Plasmodium vivax aspartyl protease, putative 0.0387 0.3825 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3769 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4575 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) 2.5119 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.