Detailed information for compound 1280970

Basic information

Technical information
  • TDR Targets ID: 1280970
  • Name: 4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4- triazol-3-yl]-2-methylpyrazol-3-amine
  • MW: 302.762 | Formula: C14H15ClN6
  • H donors: 1 H acceptors: 3 LogP: 1.67 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)Cn1c(C)nnc1c1cnn(c1N)C
  • InChi: 1S/C14H15ClN6/c1-9-18-19-14(12-7-17-20(2)13(12)16)21(9)8-10-4-3-5-11(15)6-10/h3-7H,8,16H2,1-2H3
  • InChiKey: KNNCPQQTJKCNDE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-pyrazol-3-amine
  • 4-[4-[(3-chlorophenyl)methyl]-5-methyl-1,2,4-triazol-3-yl]-2-methyl-3-pyrazolamine
  • [4-[4-(3-chlorobenzyl)-5-methyl-1,2,4-triazol-3-yl]-2-methyl-pyrazol-3-yl]amine
  • MLS000541308
  • SMR000126166
  • ZINC01384167
  • 2T-0308
  • 4-[4-(3-chlorobenzyl)-5-methyl-4H-1,2,4-triazol-3-yl]-1-methyl-1H-pyrazol-5-amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.1005 0.5
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.034 0.048
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.195 0.275
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.034 0.5
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.034 0.5
Echinococcus multilocularis dual specificity 0.0104 0.7091 1
Schistosoma mansoni DNA polymerase eta 0.0052 0.2799 0.3947
Trypanosoma brucei DNA polymerase eta, putative 0.0052 0.2799 0.3642
Loa Loa (eye worm) hypothetical protein 0.0103 0.7047 0.7047
Brugia malayi hypothetical protein 0.0042 0.195 0.195
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.034 0.048
Echinococcus granulosus dna polymerase kappa 0.0022 0.034 0.048
Loa Loa (eye worm) hypothetical protein 0.004 0.1767 0.1767
Entamoeba histolytica protein kinase, putative 0.0104 0.7091 1
Echinococcus granulosus dual specificity 0.0104 0.7091 1
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.034 0.5
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.034 0.5
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0104 0.7091 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.3289 0.3289
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1005 0.5
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.034 0.034
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2892 0.4079
Loa Loa (eye worm) hypothetical protein 0.0052 0.2799 0.2799
Giardia lamblia DINP protein human, muc B family 0.0022 0.034 0.5
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.034 0.048
Echinococcus multilocularis dna polymerase eta 0.0052 0.2799 0.3947
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.034 0.034
Brugia malayi hypothetical protein 0.002 0.0109 0.0109
Leishmania major hypothetical protein, conserved 0.003 0.1005 0.0984
Brugia malayi ImpB/MucB/SamB family protein 0.0052 0.2799 0.2799
Schistosoma mansoni hypothetical protein 0.004 0.1767 0.2491
Entamoeba histolytica protein kinase domain containing protein 0.0104 0.7091 1
Leishmania major DNA polymerase eta, putative 0.0052 0.2799 0.3642
Echinococcus multilocularis dna polymerase kappa 0.0022 0.034 0.048
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.2892 0.2892
Brugia malayi Protein kinase domain containing protein 0.0104 0.7091 0.7091
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.1767 0.1767
Entamoeba histolytica hypothetical protein 0.0042 0.195 0.2384
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.034 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.195 0.275
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0037 0.1514 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0037 0.1514 0.1739
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0104 0.7091 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2892 0.4079
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1005 0.0984
Entamoeba histolytica hypothetical protein 0.0042 0.195 0.2384
Trypanosoma cruzi DNA polymerase eta, putative 0.0052 0.2799 0.3642
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0104 0.7091 1
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.7091 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.3289 0.3289
Schistosoma mansoni hypothetical protein 0.0042 0.195 0.275
Entamoeba histolytica hypothetical protein 0.0042 0.195 0.2384
Brugia malayi hypothetical protein 0.003 0.1005 0.1005
Loa Loa (eye worm) transcription factor SMAD2 0.0139 1 1
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0104 0.7091 0.7091
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.1005 0.5
Entamoeba histolytica protein kinase, putative 0.0104 0.7091 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.195 0.275
Entamoeba histolytica hypothetical protein 0.0104 0.7091 1
Leishmania major DNA polymerase eta, putative 0.0037 0.1514 0.1739
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2892 0.4079
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2892 0.4079
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.034 0.048
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 1 1
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.1005 0.0984
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.2892 0.4079
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.034 0.5
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.3289 0.3289
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.2892 0.4079
Loa Loa (eye worm) hypothetical protein 0.003 0.1005 0.1005
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.3289 0.3289
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.1005 0.0984
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.2892 0.2892
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.2892 0.4079
Echinococcus granulosus dna polymerase eta 0.0052 0.2799 0.3947
Loa Loa (eye worm) hypothetical protein 0.0103 0.7047 0.7047
Entamoeba histolytica hypothetical protein 0.0042 0.195 0.2384
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0104 0.7091 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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