Detailed information for compound 1446986

Basic information

Technical information
  • TDR Targets ID: 1446986
  • Name: N-(2-methoxyethyl)-2-methyl-5-(3-methyl-[1,2, 4]triazolo[4,3-c]phthalazin-6-yl)benzenesulfo namide
  • MW: 411.477 | Formula: C20H21N5O3S
  • H donors: 1 H acceptors: 5 LogP: 2.23 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCNS(=O)(=O)c1cc(ccc1C)c1nn2c(C)nnc2c2c1cccc2
  • InChi: 1S/C20H21N5O3S/c1-13-8-9-15(12-18(13)29(26,27)21-10-11-28-3)19-16-6-4-5-7-17(16)20-23-22-14(2)25(20)24-19/h4-9,12,21H,10-11H2,1-3H3
  • InChiKey: WQVNGKNTUWSXJN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • A3769/0159891
  • BAS 10837989
  • NCGC00102972-01
  • ZINC02345167

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
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 mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0022 0.013 0.0353
Trichomonas vaginalis alpha-amylase, putative 0.0077 0.0806 0.0811
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0037 0.0316 0.5
Schistosoma mansoni inositol monophosphatase 0.0037 0.0316 0.0316
Brugia malayi Inositol-1 0.0037 0.0316 0.0612
Echinococcus multilocularis glucan (1,4 alpha), branching enzyme 1 0.0314 0.3687 0.3626
Schistosoma mansoni DNA helicase recq5 0.0022 0.013 0.013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.1498 0.1498
Trichomonas vaginalis starch branching enzyme II, putative 0.0314 0.3687 0.4264
Entamoeba histolytica alpha-amylase family protein 0.0708 0.8472 1
Mycobacterium leprae Putative uncharacterized protein ML2045 0.0077 0.0806 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0316 0.0223
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0393 0.0393
Loa Loa (eye worm) RecQ helicase 0.0022 0.013 0.0353
Entamoeba histolytica alpha-amylase family protein 0.0077 0.0806 0.0952
Schistosoma mansoni alpha-amylase 0.0077 0.0806 0.0806
Trichomonas vaginalis alpha-amylase, putative 0.0077 0.0806 0.0811
Entamoeba histolytica beta/alpha-amylase precursor, putative 0.0077 0.0806 0.0952
Echinococcus granulosus glucan 14 alpha branching enzyme 1 0.0314 0.3687 0.3626
Trichomonas vaginalis alpha-amylase, putative 0.0077 0.0806 0.0811
Trichomonas vaginalis amylase, putative 0.0708 0.8472 1
Trichomonas vaginalis alpha-amylase, putative 0.0708 0.8472 1
Echinococcus granulosus trehalose 6 phosphate hydrolase 0.0077 0.0806 0.0717
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0077 0.0806 0.1977
Trichomonas vaginalis alpha-amylase, putative 0.0708 0.8472 1
Trichomonas vaginalis amylase, putative 0.0708 0.8472 1
Schistosoma mansoni hypothetical protein 0.0019 0.0096 0.0096
Loa Loa (eye worm) alpha amylase 0.0077 0.0806 0.2187
Brugia malayi Alpha amylase, catalytic domain containing protein 0.0077 0.0806 0.1977
Echinococcus multilocularis neuropeptide receptor A26 0.0446 0.5295 0.5249
Mycobacterium tuberculosis Maltooligosyltrehalose trehalohydrolase TreZ 0.0077 0.0806 0.1572
Toxoplasma gondii glycosyltransferase 0.0314 0.3687 1
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0314 0.3687 0.4352
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0316 1
Mycobacterium ulcerans maltooligosyltrehalose synthase TreX 0.0077 0.0806 0.1454
Brugia malayi Bloom's syndrome protein homolog 0.0022 0.013 0.0093
Toxoplasma gondii 1,4-alpha-glucan-branching enzyme 0.0314 0.3687 1
Mycobacterium ulcerans trehalose synthase TreS 0.0077 0.0806 0.1454
Schistosoma mansoni hypothetical protein 0.0019 0.0096 0.0096
Entamoeba histolytica hypothetical protein 0.0043 0.0393 0.0464
Echinococcus multilocularis trehalose 6 phosphate hydrolase 0.0077 0.0806 0.0717
Entamoeba histolytica alpha-amylase family protein 0.0077 0.0806 0.0952
Mycobacterium tuberculosis Probable alpha-glucosidase AglA (maltase) (glucoinvertase) (glucosidosucrase) (maltase-glucoamylase) (lysosomal alpha-glucosidas 0.0077 0.0806 0.1572
Toxoplasma gondii Alpha-amylase AMY3, putative 0.0077 0.0806 0.2187
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.1498 0.1498
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.013 0.0093
Schistosoma mansoni alpha-amylase 0.0077 0.0806 0.0806
Schistosoma mansoni starch branching enzyme II 0.0314 0.3687 0.3687
Echinococcus granulosus inositol monophosphatase 1 0.0037 0.0316 0.0222
Entamoeba histolytica hypothetical protein 0.0043 0.0393 0.0464
Schistosoma mansoni inositol monophosphatase 0.0037 0.0316 0.0316
Schistosoma mansoni hypothetical protein 0.0019 0.0096 0.0096
Treponema pallidum ATP-dependent DNA helicase 0.0011 0.00000000010935 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0597 0.1619
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0022 0.013 0.0353
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0022 0.013 0.0034
Mycobacterium ulcerans trehalose synthase TreS 0.0077 0.0806 0.1454
Echinococcus multilocularis neuropeptide s receptor 0.0446 0.5295 0.5249
Trichomonas vaginalis alpha-amylase, putative 0.0077 0.0806 0.0811
Echinococcus granulosus neuropeptide receptor A26 0.0446 0.5295 0.5249
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0393 0.03
Loa Loa (eye worm) hypothetical protein 0.0011 0.00000000010935 0.00000000029656
Mycobacterium ulcerans glycosidase 0.0077 0.0806 0.1454
Echinococcus granulosus bloom syndrome protein 0.0022 0.013 0.0034
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0316 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0134 0.1498 0.1415
Entamoeba histolytica hypothetical protein 0.0043 0.0393 0.0464
Loa Loa (eye worm) hypothetical protein 0.0314 0.3687 1
Schistosoma mansoni hypothetical protein 0.0041 0.0365 0.0365
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.013 0.0353
Loa Loa (eye worm) inositol-1 0.0037 0.0316 0.0857
Chlamydia trachomatis 1,4-alpha-glucan branching enzyme 0.0314 0.3687 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 1 1
Schistosoma mansoni DNA helicase recq1 0.0022 0.013 0.013
Trichomonas vaginalis alpha-amylase, putative 0.063 0.7531 0.8871
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0316 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0096 0.0262
Trichomonas vaginalis alpha-amylase, putative 0.0077 0.0806 0.0811
Entamoeba histolytica hypothetical protein 0.0077 0.0806 0.0952
Toxoplasma gondii alpha amylase, catalytic domain-containing protein 0.0314 0.3687 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0597 0.1394
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0393 0.03
Loa Loa (eye worm) alpha amylase 0.0077 0.0806 0.2187
Schistosoma mansoni alpha-amylase 0.0077 0.0806 0.0806
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0134 0.1498 0.1415
Schistosoma mansoni alpha-amylase 0.0077 0.0806 0.0806
Schistosoma mansoni hypothetical protein 0.0019 0.0096 0.0096
Entamoeba histolytica alpha-amylase, putative 0.0077 0.0806 0.0952
Mycobacterium ulcerans maltooligosyltrehalose trehalohydrolase, TreZ 0.0077 0.0806 0.1454
Schistosoma mansoni hypothetical protein 0.0043 0.0393 0.0393
Brugia malayi 1,4-alpha-glucan branching enzyme 0.0314 0.3687 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0597 0.1394
Echinococcus granulosus alpha glucosidase 0.0077 0.0806 0.0717
Giardia lamblia 1,4-alpha-glucan branching enzyme 0.0314 0.3687 1
Entamoeba histolytica oligo-1,6-glucosidase, putative 0.0077 0.0806 0.0952
Echinococcus multilocularis inositol monophosphatase 1 0.0037 0.0316 0.0222
Trichomonas vaginalis amylase, putative 0.0314 0.3687 0.4264
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0022 0.013 0.0034
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0134 0.1498 0.3903
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0037 0.0316 1
Trichomonas vaginalis alpha-amylase, putative 0.0077 0.0806 0.0811
Entamoeba histolytica hypothetical protein 0.0043 0.0393 0.0464
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0011 0.00000000023012 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0708 0.8472 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0134 0.1498 0.1415
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0365 0.0749
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0037 0.0316 0.0373
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0022 0.013 0.5
Entamoeba histolytica alpha-amylase family protein 0.0708 0.8472 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0096 0.0262
Trichomonas vaginalis alpha-amylase, putative 0.0708 0.8472 1
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0022 0.013 0.0353
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0022 0.013 0.0034
Echinococcus multilocularis alpha glucosidase 0.0077 0.0806 0.0717
Entamoeba histolytica recQ family helicase, putative 0.0022 0.013 0.0153
Schistosoma mansoni alpha-amylase 0.0077 0.0806 0.0806
Trichomonas vaginalis conserved hypothetical protein 0.0077 0.0806 0.0811
Schistosoma mansoni hypothetical protein 0.0077 0.0806 0.0806
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.1498 0.1498
Trichomonas vaginalis alpha-amylase, putative 0.0077 0.0806 0.0811
Entamoeba histolytica alpha-amylase, putative 0.0077 0.0806 0.0952
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0022 0.013 0.4113
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0597 0.1619
Mycobacterium tuberculosis Trehalose synthase TreS 0.0077 0.0806 0.1572
Trichomonas vaginalis alpha-amylase, putative 0.0077 0.0806 0.0811
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0037 0.0316 0.0857
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0022 0.013 0.0093
Mycobacterium tuberculosis Probable glucanase GlgE 0.0077 0.0806 0.1572
Trichomonas vaginalis amylase, putative 0.0077 0.0806 0.0811
Mycobacterium tuberculosis Maltooligosyltrehalose synthase TreY 0.0077 0.0806 0.1572
Mycobacterium ulcerans glycogen branching protein 0.0314 0.3687 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0134 0.1498 0.1415
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.013 0.5
Trichomonas vaginalis alpha-amylase, putative 0.0077 0.0806 0.0811
Echinococcus multilocularis bloom syndrome protein 0.0022 0.013 0.0034
Schistosoma mansoni microtubule-associated protein tau 0.0833 1 1
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0022 0.013 0.0034
Brugia malayi hypothetical protein 0.0043 0.0393 0.0826
Mycobacterium tuberculosis 1,4-alpha-glucan branching enzyme GlgB (glycogen branching enzyme) 0.0314 0.3687 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.0365 0.0991
Echinococcus granulosus neuropeptide s receptor 0.0446 0.5295 0.5249
Trichomonas vaginalis inositol monophosphatase, putative 0.0037 0.0316 0.0223
Entamoeba histolytica 1,4-alpha-glucan branching enzyme, putative 0.0314 0.3687 0.4352
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0134 0.1498 0.4063
Mycobacterium ulcerans maltooligosyltrehalose synthase TreY 0.0077 0.0806 0.1454
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0037 0.0316 0.0223

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.631 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) 3.2643 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 4.4668 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] 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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