Detailed information for compound 1359841

Basic information

Technical information
  • TDR Targets ID: 1359841
  • Name: 3-(3,4-dimethylphenyl)-6-(pyridin-2-ylmethyl) triazolo[4,5-e]pyrimidin-7-one
  • MW: 332.359 | Formula: C18H16N6O
  • H donors: 0 H acceptors: 4 LogP: 2.17 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1C)n1nnc2c1ncn(c2=O)Cc1ccccn1
  • InChi: 1S/C18H16N6O/c1-12-6-7-15(9-13(12)2)24-17-16(21-22-24)18(25)23(11-20-17)10-14-5-3-4-8-19-14/h3-9,11H,10H2,1-2H3
  • InChiKey: GUWLARQVLXWQTR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(3,4-dimethylphenyl)-6-(2-pyridylmethyl)triazolo[4,5-e]pyrimidin-7-one
  • 3-(3,4-dimethylphenyl)-6-(2-pyridylmethyl)-7-triazolo[4,5-e]pyrimidinone
  • 3-(3,4-dimethylphenyl)-6-(pyridin-2-ylmethyl)-[1,2,3]triazolo[4,5-e]pyrimidin-7-one
  • MLS000624473
  • SMR000323775
  • ZINC04271764

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens mitogen-activated protein kinase 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania mexicana mitogen-activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Giardia lamblia Kinase, CMGC MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus multilocularis mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen activated protein kinase 2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen-activated protein kinase 4 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania infantum mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis mitogen activated protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania mexicana mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania infantum mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma congolense tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase-like orf Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma mansoni serine/threonine protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Brugia malayi MAP kinase sur-1 Get druggable targets OG5_126781 All targets in OG5_126781
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense protein kinase, putative,tyrosine protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania major mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma cruzi mitogen-activated protein kinase 11, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Mitogen-activated protein kinase 3, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium hominis MAPK Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans MAP kinase implicated in PKC1-controlled signalling pathway Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440,map kinase Get druggable targets OG5_126781 All targets in OG5_126781
Candida albicans Serine/threonine protein kinase of MAP kinase family Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania braziliensis mitogen activated protein kinase, putative,map kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Leishmania donovani mitogen activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Trypanosoma brucei gambiense mitogen-activated protein kinase, putative Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma brucei mitogen activated protein kinase 4, putative Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K04371 extracellular signal-regulated kinase 1/2, putative Get druggable targets OG5_126781 All targets in OG5_126781
Trichomonas vaginalis CMGC family protein kinase Get druggable targets OG5_126781 All targets in OG5_126781
Echinococcus granulosus mitogen activated protein kinase 3 Get druggable targets OG5_126781 All targets in OG5_126781
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Cryptosporidium parvum MAPK, putative Get druggable targets OG5_126781 All targets in OG5_126781
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei mitogen-activated protein kinase 5 mitogen-activated protein kinase 1 360 aa 361 aa 33.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus mitogen activated protein kinase 3 0.0062 0.5972 0.8013
Echinococcus multilocularis zinc finger protein 0.0024 0.0717 0.0885
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0294 0.0312
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Schistosoma mansoni zinc finger protein 0.0024 0.0717 0.0891
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0294 0.0312
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.5972 1
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0062 0.5972 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.7437 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Loa Loa (eye worm) hypothetical protein 0.0085 0.9283 1
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0062 0.5972 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Echinococcus multilocularis mitogen activated protein kinase 3 0.0062 0.5972 0.8013
Loa Loa (eye worm) hypothetical protein 0.0052 0.4581 0.4899
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0064 0.5
Trypanosoma brucei protein kinase, putative 0.0062 0.5972 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0062 0.5972 1
Echinococcus granulosus zinc finger protein 0.0024 0.0717 0.0885
Schistosoma mansoni bromodomain containing protein 0.0076 0.8037 1
Trypanosoma brucei DNA polymerase eta, putative 0.0019 0.0064 0.0107
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0019 0.0064 0.008
Loa Loa (eye worm) hypothetical protein 0.0049 0.4261 0.4552
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.3456 0.4601
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.1214 0.151
Loa Loa (eye worm) hypothetical protein 0.0046 0.3864 0.4122
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0062 0.5972 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.5972 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0294 0.0312
Brugia malayi MAP kinase sur-1 0.0062 0.5972 0.5947
Trypanosoma brucei unspecified product 0.0019 0.0064 0.0107
Trypanosoma cruzi DNA polymerase eta, putative 0.0019 0.0064 0.0107
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0062 0.5972 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0064 0.0107
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0294 0.0366
Echinococcus multilocularis mitogen activated protein kinase 0.0062 0.5972 0.8013
Leishmania major DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0064 0.0107
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0294 0.0366
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.5972 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Entamoeba histolytica deoxycytidyl transferase, putative 0.0019 0.0064 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0064 0.0107
Loa Loa (eye worm) hypothetical protein 0.0021 0.0294 0.0249
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0894 0.09
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0062 0.5972 0.6409
Leishmania major DNA polymerase eta, putative 0.0019 0.0064 0.0107
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.1214 0.1559
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0064 0.5
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.5972 1
Schistosoma mansoni DNA polymerase eta 0.0019 0.0064 0.008
Brugia malayi PHD-finger family protein 0.003 0.161 0.1556
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Schistosoma mansoni hypothetical protein 0.0025 0.0894 0.1112
Trichomonas vaginalis CMGC family protein kinase 0.0062 0.5972 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0064 0.008
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.7437 1
Echinococcus granulosus mitogen activated protein kinase 0.0062 0.5972 0.8013
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.3456 0.4601
Schistosoma mansoni serine/threonine protein kinase 0.0062 0.5972 0.7431
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.1214 0.1559
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0294 0.0366
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0064 0.5
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0294 0.0366
Giardia lamblia Kinase, CMGC MAPK 0.0062 0.5972 1
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0062 0.5972 1
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0064 0.5
Brugia malayi Bromodomain containing protein 0.0046 0.3853 0.3813
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0064 0.0107
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0064 0.0107
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0062 0.5972 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0294 0.0312
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0397 0.0361

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0033 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) = 0.1 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) 0.2332 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) 3.5481 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (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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