Detailed information for compound 1554620

Basic information

Technical information
  • TDR Targets ID: 1554620
  • Name: N-[(2,5-dimethoxyphenyl)methyl]-2-methoxy-5-( 3-methyl-1,2-oxazol-5-yl)benzenesulfonamide
  • MW: 418.463 | Formula: C20H22N2O6S
  • H donors: 1 H acceptors: 3 LogP: 2.8 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1S(=O)(=O)NCc1cc(OC)ccc1OC)c1onc(c1)C
  • InChi: 1S/C20H22N2O6S/c1-13-9-19(28-22-13)14-5-7-18(27-4)20(11-14)29(23,24)21-12-15-10-16(25-2)6-8-17(15)26-3/h5-11,21H,12H2,1-4H3
  • InChiKey: XNTPWVBRZOZAAJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2,5-dimethoxyphenyl)methyl]-2-methoxy-5-(3-methylisoxazol-5-yl)benzenesulfonamide
  • N-[(2,5-dimethoxyphenyl)methyl]-2-methoxy-5-(3-methyl-5-isoxazolyl)benzenesulfonamide
  • N-(2,5-dimethoxybenzyl)-2-methoxy-5-(3-methylisoxazol-5-yl)benzenesulfonamide

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
Schistosoma mansoni hypothetical protein 0.014 0.4511 0.915
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0673 0.0608
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.2133 0.8388
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.014 0.4511 0.5659
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0036 0.0618 0.0775
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.2133 0.8388
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0113 0.3487 0.3441
Trichomonas vaginalis pyruvate kinase, putative 0.0037 0.0673 0.0608
Trichomonas vaginalis glucosylceramidase, putative 0.0288 1 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0423 0.1984
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.283 0.5741
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0087 0.253 1
Loa Loa (eye worm) CYP4Cod1 0.0026 0.0269 0.02
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0095 0.283 0.2815
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.6317 0.6291
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0036 0.0618 0.0598
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.6317 0.6291
Echinococcus granulosus pyruvate kinase 0.0037 0.0673 0.0845
Loa Loa (eye worm) cytochrome P450 family protein 0.006 0.1525 0.1465
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0087 0.253 1
Schistosoma mansoni survival motor neuron protein 0.0048 0.1061 0.2152
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0269 0.0809
Entamoeba histolytica protein kinase domain containing protein 0.0087 0.253 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0095 0.283 0.278
Schistosoma mansoni hypothetical protein 0.0036 0.0618 0.1253
Trichomonas vaginalis pyruvate kinase, putative 0.0037 0.0673 0.0608
Entamoeba histolytica protein kinase, putative 0.0087 0.253 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0036 0.0618 0.0775
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0037 0.0673 0.3418
Trypanosoma brucei cytochrome P450, putative 0.0026 0.0269 0.0809
Echinococcus multilocularis pyruvate kinase 0.0037 0.0673 0.0845
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0423 0.1437
Chlamydia trachomatis pyruvate kinase 0.0037 0.0673 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.007 0.0048
Trichomonas vaginalis glucosylceramidase, putative 0.0288 1 1
Trypanosoma cruzi cytochrome P450, putative 0.0026 0.0269 0.0809
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.6317 0.6291
Entamoeba histolytica pyruvate kinase, putative 0.0026 0.0255 0.0752
Echinococcus multilocularis dual specificity 0.0087 0.253 0.3173
Echinococcus multilocularis GPCR, family 2 0.0036 0.0618 0.0775
Leishmania major cytochrome p450-like protein 0.0026 0.0269 0.0809
Echinococcus multilocularis thyroid hormone receptor alpha 0.0151 0.493 0.6184
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0673 0.0608
Loa Loa (eye worm) inositol-1 0.0076 0.2133 0.2078
Brugia malayi Pyruvate kinase, muscle isozyme 0.0037 0.0673 0.0653
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0087 0.253 1
Leishmania major hypothetical protein, conserved 0.003 0.0423 0.1437
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.1061 0.1041
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0036 0.0618 0.0775
Entamoeba histolytica hypothetical protein 0.0087 0.253 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.2513 0.246
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.2133 0.8388
Onchocerca volvulus 0.0048 0.1061 0.0686
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.007 0.0088
Echinococcus granulosus GPCR family 2 0.0036 0.0618 0.0775
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0113 0.3487 0.3473
Brugia malayi Pyruvate kinase, M2 isozyme 0.0037 0.0673 0.0653
Leishmania major pyruvate kinase 0.0037 0.0673 0.2453
Loa Loa (eye worm) hypothetical protein 0.0087 0.2513 0.246
Entamoeba histolytica protein kinase, putative 0.0087 0.253 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.2133 0.2078
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.7971 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.007 0.1038
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.283 0.355
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0423 0.1437
Trypanosoma brucei pyruvate kinase 1 0.0037 0.0673 0.2453
Brugia malayi latrophilin 2 splice variant baaae 0.0077 0.2159 0.2142
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0076 0.2133 0.2078
Brugia malayi Cytochrome P450 family protein 0.0026 0.0269 0.0248
Echinococcus multilocularis inositol monophosphatase 1 0.0076 0.2133 0.2676
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.283 0.355
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0423 0.1437
Schistosoma mansoni thyroid hormone receptor 0.0151 0.493 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0095 0.283 0.355
Schistosoma mansoni inositol monophosphatase 0.0076 0.2133 0.4327
Toxoplasma gondii exonuclease III APE 0.0021 0.007 0.0328
Schistosoma mansoni inositol monophosphatase 0.0076 0.2133 0.4327
Brugia malayi Inositol-1 0.0076 0.2133 0.2116
Trichomonas vaginalis glucosylceramidase, putative 0.0288 1 1
Schistosoma mansoni ap endonuclease 0.0021 0.007 0.0142
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.007 0.5
Loa Loa (eye worm) hypothetical protein 0.0233 0.7971 0.7957
Echinococcus multilocularis pyruvate kinase 0.0029 0.0382 0.0479
Onchocerca volvulus Glucosylceramidase homolog 0.0189 0.6317 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0255 0.0186
Echinococcus granulosus pyruvate kinase 0.0037 0.0673 0.0845
Schistosoma mansoni pyruvate kinase 0.0037 0.0673 0.1366
Giardia lamblia Pyruvate kinase 0.0037 0.0673 1
Toxoplasma gondii pyruvate kinase PyK1 0.0037 0.0673 0.3156
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0076 0.2133 1
Trichomonas vaginalis glucosylceramidase, putative 0.0288 1 1
Echinococcus multilocularis pyruvate kinase 0.0037 0.0673 0.0845
Loa Loa (eye worm) pyruvate kinase-PB 0.0026 0.0255 0.0186
Schistosoma mansoni thyroid hormone receptor 0.0151 0.493 1
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.253 0.5131
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.007 0.1038
Loa Loa (eye worm) hypothetical protein 0.0037 0.0673 0.0608
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.6696 0.6672
Brugia malayi Calcitonin receptor-like protein seb-1 0.0113 0.3487 0.3473
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.014 0.4511 0.5659
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0026 0.0269 0.0964
Loa Loa (eye worm) hypothetical protein 0.0077 0.2159 0.2104
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0423 0.6286
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0269 0.02
Schistosoma mansoni hypothetical protein 0.0077 0.2159 0.4379
Schistosoma mansoni pyruvate kinase 0.0037 0.0673 0.1366
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.6317 0.6291
Plasmodium falciparum pyruvate kinase 0.0037 0.0673 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0095 0.283 0.355
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.7971 1
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.6317 0.6291
Loa Loa (eye worm) hypothetical protein 0.003 0.0423 0.0356
Leishmania major pyruvate kinase 0.0037 0.0673 0.2453
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0076 0.2133 1
Brugia malayi hypothetical protein 0.003 0.0423 0.0403
Loa Loa (eye worm) cytochrome P450 family protein 0.0026 0.0269 0.02
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0087 0.253 1
Schistosoma mansoni hypothetical protein 0.0036 0.0618 0.1253
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0288 1 1
Trypanosoma cruzi pyruvate kinase 2, putative 0.0037 0.0673 0.2453
Mycobacterium ulcerans pyruvate kinase 0.0037 0.0673 0.2925
Brugia malayi Latrophilin receptor protein 2 0.0036 0.0618 0.0598
Trichomonas vaginalis glucosylceramidase, putative 0.0288 1 1
Loa Loa (eye worm) hypothetical protein 0.0113 0.3487 0.3441
Plasmodium vivax pyruvate kinase, putative 0.0037 0.0673 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.007 0.1038
Schistosoma mansoni ap endonuclease 0.0021 0.007 0.0142
Brugia malayi Cytochrome P450 family protein 0.006 0.1525 0.1506
Brugia malayi Cytochrome P450 family protein 0.0026 0.0269 0.0248
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0076 0.2133 0.8388
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.283 0.5741
Brugia malayi Protein kinase domain containing protein 0.0087 0.253 0.2514
Trypanosoma brucei pyruvate kinase 1, putative 0.0037 0.0673 0.2453
Trichomonas vaginalis glucosylceramidase, putative 0.0199 0.6696 0.6672
Schistosoma mansoni hypothetical protein 0.0036 0.0618 0.1253
Echinococcus granulosus dual specificity 0.0087 0.253 0.3173
Schistosoma mansoni hypothetical protein 0.0036 0.0618 0.1253
Trichomonas vaginalis glucosylceramidase, putative 0.0288 1 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0036 0.0618 0.0552
Brugia malayi hypothetical protein 0.0233 0.7971 0.7967
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.6317 0.6291
Echinococcus granulosus inositol monophosphatase 1 0.0076 0.2133 0.2676
Loa Loa (eye worm) hypothetical protein 0.0036 0.0618 0.0552
Trichomonas vaginalis inositol monophosphatase, putative 0.0076 0.2133 0.2078
Loa Loa (eye worm) pyruvate kinase 0.0037 0.0673 0.0608
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0095 0.283 0.5741
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0423 0.6286
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0087 0.253 0.2477
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0076 0.2133 0.8388
Trypanosoma cruzi pyruvate kinase 2, putative 0.0037 0.0673 0.2453
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0068 0.1835 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0036 0.0618 0.0775
Schistosoma mansoni hypothetical protein 0.0048 0.1061 0.2152
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0423 0.6286
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.007 0.0088
Trichomonas vaginalis glucosylceramidase, putative 0.0189 0.6317 0.6291
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0076 0.2133 1
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0068 0.1835 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0316 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, 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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