Detailed information for compound 1286175

Basic information

Technical information
  • TDR Targets ID: 1286175
  • Name: 4-(3,5-dimethylpyrazol-1-yl)tetrazolo[1,5-a]q uinoxaline
  • MW: 265.273 | Formula: C13H11N7
  • H donors: 0 H acceptors: 5 LogP: 1.77 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1nn(c(c1)C)c1nc2ccccc2n2c1nnn2
  • InChi: 1S/C13H11N7/c1-8-7-9(2)19(16-8)12-13-15-17-18-20(13)11-6-4-3-5-10(11)14-12/h3-7H,1-2H3
  • InChiKey: WDWJAYZPMXLONE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-(3,5-dimethyl-1-pyrazolyl)tetrazolo[1,5-a]quinoxaline
  • 4-(3,5-dimethylpyrazol-1-yl)-[1,2,3,4]tetrazolo[1,5-a]quinoxaline
  • ZINC01429958
  • 4-(3,5-dimethyl-1H-pyrazol-1-yl)tetrazolo[1,5-a]quinoxaline
  • MLS000091296
  • SMR000025858
  • A3715/0157392
  • 4-(3,5-Dimethyl-pyrazol-1-yl)-1,2,3,5,9b-pentaaza-cyclopenta[a]naphthalene
  • BAS 10217567

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0287 0.5769 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.2855 0.5643
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.506 1
Schistosoma mansoni Smad4 0.001 0.0111 0.0111
Echinococcus granulosus smad 0.001 0.0111 0.0111
Toxoplasma gondii histone lysine methyltransferase SET1 0.0067 0.128 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1039 0.1039
Onchocerca volvulus 0.0035 0.0619 0.1073
Brugia malayi MH1 domain containing protein 0.001 0.0111 0.0219
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0662 0.0662
Schistosoma mansoni smad 0.001 0.0111 0.0111
Loa Loa (eye worm) histone methyltransferase 0.0012 0.0157 0.0309
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.0113 0.0113
Brugia malayi MH1 domain containing protein 0.001 0.0111 0.0219
Echinococcus multilocularis smad 0.001 0.0111 0.0111
Schistosoma mansoni cpg binding protein 0.0037 0.0659 0.0659
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1039 0.1039
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0619 0.1223
Onchocerca volvulus 0.0037 0.0662 0.1148
Echinococcus granulosus histone lysine methyltransferase setb 0.0037 0.0662 0.0662
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1039 0.1039
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0154 0.0304
Schistosoma mansoni cpg binding protein 0.0037 0.0659 0.0659
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0111 0.0111
Brugia malayi MH2 domain containing protein 0.0144 0.2855 0.5643
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0012 0.0157 0.0157
Plasmodium vivax SET domain protein, putative 0.0037 0.0662 0.5
Trichomonas vaginalis set domain proteins, putative 0.0287 0.5769 1
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0111 0.0111
Brugia malayi MH1 domain containing protein 0.0005 0.0021 0.0042
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0662 0.0662
Schistosoma mansoni smad1 5 8 and 0.001 0.0111 0.0111
Echinococcus multilocularis cpg binding protein 0.0037 0.0659 0.0659
Echinococcus granulosus cpg binding protein 0.0037 0.0659 0.0659
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0075 0.144 0.144
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0111 0.0111
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1039 0.1039
Brugia malayi Pre-SET motif family protein 0.0252 0.506 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0021 0.0042
Loa Loa (eye worm) nuclear factor I 0.0005 0.0021 0.0042
Brugia malayi Pre-SET motif family protein 0.0037 0.0662 0.1309
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0662 0.0662
Brugia malayi CXXC zinc finger family protein 0.0035 0.0619 0.1223
Brugia malayi MH1 domain containing protein 0.0005 0.0021 0.0042
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0111 0.0219
Brugia malayi MH2 domain containing protein 0.001 0.0111 0.0219
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0111 0.0111
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0111 0.0219
Loa Loa (eye worm) hypothetical protein 0.0037 0.0662 0.1309
Schistosoma mansoni cpg binding protein 0.0035 0.0619 0.0619
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1039 0.2053
Schistosoma mansoni smad1 5 8 and 0.001 0.0111 0.0111
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0006 0.0039 0.0039
Schistosoma mansoni smad1 5 8 and 0.001 0.0111 0.0111
Brugia malayi MH2 domain containing protein 0.001 0.0111 0.0219
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1039 0.1039
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1039 0.1039
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.0113 0.0113
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0037 0.0662 0.0662
Loa Loa (eye worm) Smad1 0.001 0.0111 0.0219
Echinococcus multilocularis Smad4 0.001 0.0111 0.0111
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0012 0.0157 0.0157
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.2855 0.5643
Schistosoma mansoni mixed-lineage leukemia protein mll 0.001 0.0113 0.0113
Echinococcus multilocularis mixed lineage leukemia protein mll 0.001 0.0113 0.0113
Echinococcus granulosus mixed lineage leukemia protein mll 0.001 0.0113 0.0113
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1039 0.2053
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0662 0.0662
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0111 0.0111
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.062 0.062
Echinococcus granulosus Smad4 0.001 0.0111 0.0111
Brugia malayi Smad1 0.001 0.0111 0.0219
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0662 0.0662
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1039 0.1039

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 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
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1 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) 4.4668 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] 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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