Detailed information for compound 1343716

Basic information

Technical information
  • TDR Targets ID: 1343716
  • Name: 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2, 4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2,4-dimet hylphenyl)propanamide
  • MW: 459.54 | Formula: C26H29N5O3
  • H donors: 1 H acceptors: 4 LogP: 4.3 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)cc(c1)c1nc2n(n1)c(C)c(c(n2)C)CCC(=O)Nc1ccc(cc1C)C
  • InChi: 1S/C26H29N5O3/c1-15-7-9-23(16(2)11-15)28-24(32)10-8-22-17(3)27-26-29-25(30-31(26)18(22)4)19-12-20(33-5)14-21(13-19)34-6/h7,9,11-14H,8,10H2,1-6H3,(H,28,32)
  • InChiKey: BTTLOTXFTWPQJW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-(2,4-dimethylphenyl)propionamide
  • C561-1798
  • NCGC00110075-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
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
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.015 0.1526 0.2887
Schistosoma mansoni DNA polymerase eta 0.0064 0.0462 0.0373
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0442 0.1885
Treponema pallidum phosphoglycerate kinase 0.0169 0.177 0.5
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0038 0.0148 0.0429
Trypanosoma brucei DNA polymerase eta, putative 0.0064 0.0462 0.2609
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0148 0.0086
Leishmania major phosphoglycerate kinase C, glycosomal 0.0169 0.177 1
Leishmania major phosphoglycerate kinase B, cytosolic 0.0169 0.177 1
Loa Loa (eye worm) hypothetical protein 0.005 0.0286 0.0391
Entamoeba histolytica phosphoglycerate kinase, putative 0.0169 0.177 1
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0169 0.177 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0148 0.0834
Echinococcus multilocularis geminin 0.0169 0.176 0.1664
Plasmodium vivax phosphoglycerate kinase, putative 0.0169 0.177 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0148 0.0834
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0442 0.1885
Mycobacterium leprae Probable orotidine 5'-phosphate decarboxylase PyrF (OMP decarboxylase) (OMPDCase) (OMPdecase) 0.0136 0.1354 0.7267
Schistosoma mansoni transcription factor LCR-F1 0.0036 0.0115 0.0024
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0059 0.0399 0.031
Echinococcus multilocularis cysteine protease atg4b 0.0059 0.0399 0.0287
Mycobacterium tuberculosis Conserved hypothetical protein 0.0038 0.0148 0.0429
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0062 0.0442 0.1885
Echinococcus multilocularis dna polymerase kappa 0.0038 0.0148 0.0033
Echinococcus granulosus phosphoglycerate kinase 1 0.0169 0.177 0.1674
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0148 0.0834
Echinococcus granulosus dna polymerase kappa 0.0038 0.0148 0.0033
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0038 0.0148 0.0033
Schistosoma mansoni family C54 unassigned peptidase (C54 family) 0.0059 0.0399 0.031
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0169 0.177 1
Leishmania major DNA polymerase eta, putative 0.0064 0.0462 0.2005
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus multilocularis Peptidase C54 0.0059 0.0399 0.0287
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0148 0.0834
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.015 0.1526 0.1447
Onchocerca volvulus 0.0561 0.6623 1
Mycobacterium ulcerans orotate phosphoribosyltransferase 0.0046 0.0247 0.0614
Plasmodium vivax orotidine 5'-phosphate decarboxylase, putative 0.0136 0.1354 0.7267
Loa Loa (eye worm) hypothetical protein 0.0435 0.5059 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0148 0.0834
Trypanosoma brucei unspecified product 0.0038 0.0148 0.0834
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0148 0.0086
Echinococcus granulosus dna polymerase eta 0.0064 0.0462 0.035
Schistosoma mansoni hypothetical protein 0.0036 0.0115 0.0024
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0038 0.0148 0.0033
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0148 0.0834
Loa Loa (eye worm) hypothetical protein 0.0064 0.0462 0.0744
Brugia malayi Phospholipase A2 family protein 0.0092 0.0806 0.4256
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0148 0.0086
Entamoeba histolytica deoxycytidyl transferase, putative 0.0038 0.0148 0.0195
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.1143 0.2117
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0148 0.0834
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0169 0.177 0.1989
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.0399 0.1548
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0286 0.1159
Loa Loa (eye worm) hypothetical protein 0.0092 0.0806 0.1438
Echinococcus multilocularis uridine 5' monophosphate synthase 0.015 0.1526 0.1427
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0148 0.0834
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0169 0.177 1
Echinococcus multilocularis phosphoglycerate kinase 1 0.0169 0.177 0.1674
Echinococcus granulosus uridine 5' monophosphate synthase 0.015 0.1526 0.1427
Brugia malayi ImpB/MucB/SamB family protein 0.0038 0.0148 0.0332
Schistosoma mansoni phosphoglycerate kinase 0.0169 0.177 0.1693
Mycobacterium ulcerans orotidine 5'-phosphate decarboxylase 0.0136 0.1354 0.7435
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.0399 0.1548
Echinococcus granulosus Peptidase C54 0.0059 0.0399 0.0287
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Giardia lamblia Phosphoglycerate kinase 0.0169 0.177 1
Brugia malayi Peptidase family C54 containing protein 0.0059 0.0399 0.1829
Trypanosoma brucei phosphoglycerate kinase 0.0169 0.177 1
Mycobacterium ulcerans phosphoglycerate kinase 0.0169 0.177 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0286 0.0391
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0148 0.0834
Leishmania major orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative,OMPDCase-OPRTase, putative 0.015 0.1526 0.8511
Trypanosoma brucei AUT2/APG4/ATG4 cysteine peptidase, putative 0.0059 0.0399 0.2254
Leishmania major DNA polymerase kappa, putative 0.0038 0.0148 0.0086
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0169 0.177 1
Trypanosoma brucei phosphoglycerate kinase 0.0169 0.177 1
Echinococcus multilocularis dna polymerase eta 0.0064 0.0462 0.035
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.0399 0.1548
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.0442 0.1885
Leishmania major AUT2/APG4/ATG4 cysteine peptidase, putative 0.0059 0.0399 0.1621
Plasmodium falciparum phosphoglycerate kinase 0.0169 0.177 1
Wolbachia endosymbiont of Brugia malayi orotidine-5'-phosphate decarboxylase 0.0664 0.7902 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.1143 0.2117
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0169 0.177 1
Echinococcus granulosus geminin 0.0169 0.176 0.1664
Mycobacterium tuberculosis Probable orotate phosphoribosyltransferase PyrE (OPRT) (oprtase) 0.0046 0.0247 0.1017
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0038 0.0148 0.0086
Plasmodium falciparum orotidine 5'-phosphate decarboxylase 0.0136 0.1354 0.7267
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0148 0.0834
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.015 0.1526 0.8511
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.0399 0.1548
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0286 0.1159
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0148 0.0834
Brugia malayi Phosphoglycerate kinase 0.0169 0.177 1
Brugia malayi MH2 domain containing protein 0.0119 0.1143 0.6267
Chlamydia trachomatis phosphoglycerate kinase 0.0169 0.177 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.0148 0.0834
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0169 0.177 1
Entamoeba histolytica peptidase, C54 family 0.0059 0.0399 0.1713
Trypanosoma brucei DNA polymerase kappa, putative 0.0038 0.0148 0.0834
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0169 0.177 1
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0062 0.0442 0.1885
Trypanosoma cruzi AUT2/APG4/ATG4 cysteine peptidase, putative 0.0059 0.0399 0.1621
Trypanosoma brucei phosphoglycerate kinase, putative 0.0062 0.0442 0.2497
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.0136 0.1354 0.7457
Trypanosoma cruzi orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.015 0.1526 0.8511
Brugia malayi hypothetical protein 0.0036 0.0115 0.014
Schistosoma mansoni hypothetical protein 0.0169 0.176 0.1684
Brugia malayi Phosphoglycerate kinase 0.0062 0.0442 0.2086
Toxoplasma gondii orotate phosphoribosyltransferase 0.0046 0.0247 0.0695
Schistosoma mansoni phosphoglycerate kinase 0.0169 0.177 0.1693
Brugia malayi ImpB/MucB/SamB family protein 0.0064 0.0462 0.2203
Echinococcus granulosus cysteine protease atg4b 0.0059 0.0399 0.0287
Trypanosoma cruzi DNA polymerase eta, putative 0.0064 0.0462 0.2005
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0169 0.177 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0399 0.0618
Brugia malayi orotate phosphoribosyltransferase family protein 0.015 0.1526 0.8548
Loa Loa (eye worm) hypothetical protein 0.0169 0.177 0.3378
Schistosoma mansoni autophagin-1 (C54 family) 0.0059 0.0399 0.031
Trichomonas vaginalis Clan CA, family C54, ATG4-like cysteine peptidase 0.0059 0.0399 0.1548
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0038 0.0148 0.0112
Schistosoma mansoni terminal deoxycytidyl transferase 0.0038 0.0148 0.0056
Trypanosoma cruzi DNA polymerase kappa, putative 0.0038 0.0148 0.0086
Toxoplasma gondii orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase 0.0136 0.1354 0.7457
Schistosoma mansoni hypothetical protein 0.0169 0.176 0.1684
Trypanosoma brucei orotidine-5-phosphate decarboxylase/orotate phosphoribosyltransferase, putative 0.015 0.1526 0.8623
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0062 0.0442 0.1885
Onchocerca volvulus Phospholipase A2 homolog 0.0435 0.5059 0.7311
Trypanosoma brucei phosphoglycerate kinase 0.0062 0.0442 0.2497
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0038 0.0148 0.0056

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 8.9125 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) 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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