Detailed information for compound 1438662

Basic information

Technical information
  • TDR Targets ID: 1438662
  • Name: 1-(2,5-dimethoxyphenyl)sulfonyl-2-propylimida zole
  • MW: 310.369 | Formula: C14H18N2O4S
  • H donors: 0 H acceptors: 3 LogP: 2.37 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCc1nccn1S(=O)(=O)c1cc(OC)ccc1OC
  • InChi: 1S/C14H18N2O4S/c1-4-5-14-15-8-9-16(14)21(17,18)13-10-11(19-2)6-7-12(13)20-3/h6-10H,4-5H2,1-3H3
  • InChiKey: DEQCXODLKBPYLO-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(2,5-dimethoxyphenyl)sulfonyl-2-propyl-imidazole
  • SMR000123146
  • Oprea1_480906
  • ZINC00209712
  • BAS 01126268
  • A2157/0090621
  • 1-(2,5-Dimethoxy-benzenesulfonyl)-2-propyl-1H-imidazole
  • Oprea1_462275
  • MLS000523168

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
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 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.006 0.3689
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0098 0.0295 0.0272
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.0137 0.1073
Echinococcus multilocularis disco interacting protein 2 0.0038 0.0055 0.0031
Schistosoma mansoni hypothetical protein 0.0047 0.0094 0.0081
Onchocerca volvulus 0.0033 0.0035 0.0237
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0078 0.0055
Echinococcus multilocularis GPCR, family 2 0.0047 0.0094 0.0071
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.006 0.3689
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0012 0.0721
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0163 0.0161
Entamoeba histolytica kinesin, putative 0.0328 0.1216 1
Entamoeba histolytica hypothetical protein 0.0043 0.0078 0.0642
Brugia malayi Latrophilin receptor protein 2 0.0047 0.0094 0.0718
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0279 0.102 0.8389
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0083 0.0235 0.1935
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0151 0.1184
Schistosoma mansoni DNA polymerase eta 0.0065 0.0163 0.0161
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0078 0.0063
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0039 0.006 0.0037
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0047 0.0094 0.0071
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.0481 0.3915
Trypanosoma cruzi DNA polymerase eta, putative 0.0038 0.0055 0.3089
Schistosoma mansoni hypothetical protein 0.0058 0.0137 0.0131
Brugia malayi Bromodomain containing protein 0.003 0.0024 0.0134
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.006 0.3689
Loa Loa (eye worm) TAR-binding protein 0.0065 0.0163 0.129
Loa Loa (eye worm) hypothetical protein 0.003 0.0024 0.0134
Loa Loa (eye worm) hypothetical protein 0.015 0.0504 0.411
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0078 0.0055
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.006 0.3689
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0279 0.102 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0039 0.006 0.0589
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0065 0.0163 0.129
Brugia malayi latrophilin 2 splice variant baaae 0.0103 0.0314 0.254
Plasmodium vivax hypothetical protein, conserved 0.003 0.0024 0.0194
Loa Loa (eye worm) jmjC domain-containing protein 0.0036 0.0049 0.0341
Schistosoma mansoni hypothetical protein 0.0047 0.0094 0.0081
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.006 0.3689
Brugia malayi hypothetical protein 0.0043 0.0078 0.0584
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0007 0.0061
Loa Loa (eye worm) hypothetical protein 0.0051 0.0109 0.0838
Schistosoma mansoni terminal deoxycytidyl transferase 0.0039 0.006 0.0042
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0039 0.006 0.0042
Brugia malayi TAR-binding protein 0.0065 0.0163 0.129
Trypanosoma brucei unspecified product 0.0027 0.0012 0.0721
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0024 0 0.5
Leishmania major DNA polymerase kappa, putative 0.0039 0.006 0.3689
Echinococcus granulosus jumonji domain containing protein 0.0042 0.007 0.0047
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0163 0.0161
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0038 0.0055 0.0036
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0012 0.0721
Trypanosoma brucei DNA polymerase kappa, putative 0.0027 0.0012 0.0721
Onchocerca volvulus 0.0058 0.0137 0.2278
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0091 0.0695
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.006 0.3689
Loa Loa (eye worm) hypothetical protein 0.0155 0.0522 0.426
Loa Loa (eye worm) latrophilin receptor protein 2 0.0047 0.0094 0.0718
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.1046 0.1024
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0039 0.006 0.0435
Brugia malayi MH2 domain containing protein 0.0144 0.0481 0.3915
Trypanosoma cruzi DNA polymerase eta, putative 0.0065 0.0163 1
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.1046 0.1024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0091 0.0078
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0091 0.0078
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0091 0.0068
Brugia malayi PHD-finger family protein 0.003 0.0024 0.0134
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0091 0.0068
Trypanosoma brucei unspecified product 0.0039 0.006 0.3689
Echinococcus granulosus L aminoadipate semialdehyde 0.0085 0.0244 0.0221
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0091 0.0078
Schistosoma mansoni cpg binding protein 0.0033 0.0035 0.0014
Plasmodium falciparum phd finger protein, putative 0.003 0.0024 0.0194
Loa Loa (eye worm) hypothetical protein 0.0286 0.1046 0.8591
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0039 0.006 0.3689
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0007 0.0458
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0039 0.006 0.5
Echinococcus granulosus disco interacting protein 2 0.0038 0.0055 0.0031
Schistosoma mansoni hypothetical protein 0.0043 0.0078 0.0063
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.006 0.3386
Brugia malayi hypothetical protein 0.0286 0.1046 0.8591
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0007 0.0061
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0039 0.006 0.0037
Onchocerca volvulus 0.0155 0.0522 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.0094 0.0718
Leishmania major DNA polymerase eta, putative 0.0038 0.0055 0.3405
Echinococcus granulosus cpg binding protein 0.0033 0.0035 0.0012
Loa Loa (eye worm) RNA binding protein 0.0065 0.0163 0.129
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0091 0.0068
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.006 0.3689
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.007 0.0047
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0098 0.0295 0.0272
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.006 0.3689
Onchocerca volvulus 0.0038 0.0055 0.063
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.006 0.3386
Schistosoma mansoni jumonji domain containing protein 0.0078 0.0215 0.022
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0047 0.0094 0.0071
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0279 0.102 1
Echinococcus granulosus GPCR family 2 0.0047 0.0094 0.0071
Echinococcus multilocularis lysine specific demethylase 5A 0.0036 0.0049 0.0025
Treponema pallidum hypothetical protein 0.0279 0.102 1
Brugia malayi CXXC zinc finger family protein 0.0033 0.0035 0.0231
Plasmodium vivax kinesin-5 0.0328 0.1216 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.015 0.0504 0.411
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.006 0.3689
Schistosoma mansoni hypothetical protein 0.0047 0.0094 0.0081
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0024 0 0.5
Brugia malayi hypothetical protein 0.0155 0.0522 0.426
Brugia malayi jmjC domain containing protein 0.0036 0.0049 0.0341
Echinococcus multilocularis cpg binding protein 0.0033 0.0035 0.0012
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0163 0.0161
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0007 0.0061
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.006 0.3689
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.006 0.3689
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0024 0.0134
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0038 0.0055 0.0456
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.006 0.0589
Brugia malayi Kinesin motor domain containing protein 0.0328 0.1216 1
Echinococcus granulosus tar DNA binding protein 0.0065 0.0163 0.014
Schistosoma mansoni cpg binding protein 0.0033 0.0035 0.0014
Schistosoma mansoni hypothetical protein 0.2198 0.8688 1
Plasmodium falciparum kinesin-5 0.0328 0.1216 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0279 0.102 0.8389
Schistosoma mansoni cpg binding protein 0.0033 0.0035 0.0014
Loa Loa (eye worm) kinesin-like protein KLP2 0.0328 0.1216 1
Entamoeba histolytica hypothetical protein 0.0043 0.0078 0.0642
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.006 0.3386
Giardia lamblia DINP protein human, muc B family 0.0039 0.006 0.0306
Loa Loa (eye worm) hypothetical protein 0.0065 0.0163 0.1285
Entamoeba histolytica hypothetical protein 0.0043 0.0078 0.0642
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0007 0.0061
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0091 0.0068
Schistosoma mansoni hypothetical protein 0.0103 0.0314 0.0336
Giardia lamblia Kinesin-5 0.0328 0.1216 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0085 0.0244 0.0221
Onchocerca volvulus 0.0085 0.0244 0.4427
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0047 0.0094 0.0718
Echinococcus multilocularis geminin 0.0173 0.0597 0.0575
Loa Loa (eye worm) hypothetical protein 0.0103 0.0314 0.254
Toxoplasma gondii kinesin motor domain-containing protein 0.0328 0.1216 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0047 0.0094 0.0071
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0024 0.0194
Brugia malayi Calcitonin receptor-like protein seb-1 0.015 0.0504 0.411
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0049 0.0029
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0163 0.0161
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0047 0.0094 0.0071
Toxoplasma gondii PHD-finger domain-containing protein 0.003 0.0024 0.0194
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.015 0.0504 0.411
Trypanosoma brucei DNA polymerase IV, putative 0.0039 0.006 0.3689
Mycobacterium ulcerans DNA polymerase IV 0.0039 0.006 0.0589
Leishmania major hypothetical protein, conserved 0.0026 0.0007 0.0458
Schistosoma mansoni survival motor neuron protein 0.0058 0.0137 0.0131
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0091 0.0695
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0085 0.0244 0.196
Trypanosoma cruzi DNA polymerase kappa, putative 0.0039 0.006 0.3386
Schistosoma mansoni jumonji/arid domain-containing protein 0.0036 0.0049 0.0029
Echinococcus multilocularis dna polymerase kappa 0.0039 0.006 0.0037
Schistosoma mansoni tar DNA-binding protein 0.0065 0.0163 0.0161
Schistosoma mansoni hypothetical protein 0.0047 0.0094 0.0081
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.0481 0.3915
Trichomonas vaginalis DNA polymerase eta, putative 0.0039 0.006 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.0078 0.0642
Trypanosoma brucei unspecified product 0.0027 0.0012 0.0721
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0039 0.006 0.0589
Loa Loa (eye worm) hypothetical protein 0.0038 0.0055 0.0393
Schistosoma mansoni kinesin eg-5 0.0328 0.1216 0.1376
Trypanosoma brucei DNA polymerase kappa, putative 0.0039 0.006 0.3689
Brugia malayi ImpB/MucB/SamB family protein 0.0039 0.006 0.0435
Echinococcus multilocularis tar DNA binding protein 0.0065 0.0163 0.014
Echinococcus multilocularis dna polymerase eta 0.0065 0.0163 0.014
Leishmania major DNA polymerase eta, putative 0.0065 0.0163 1
Trypanosoma brucei DNA polymerase eta, putative 0.0065 0.0163 1
Entamoeba histolytica deoxycytidyl transferase, putative 0.0039 0.006 0.0494
Brugia malayi Disco-interacting protein 2 homolog 0.0038 0.0055 0.0393
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0279 0.102 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.0244 0.196
Loa Loa (eye worm) CXXC zinc finger family protein 0.0033 0.0035 0.0231
Toxoplasma gondii hypothetical protein 0.0083 0.0235 0.1935
Brugia malayi RNA recognition motif domain containing protein 0.0065 0.0163 0.129
Echinococcus granulosus geminin 0.0173 0.0597 0.0575
Brugia malayi RNA binding protein 0.0065 0.0163 0.129
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0085 0.0244 0.0255
Schistosoma mansoni hypothetical protein 0.0173 0.0597 0.0662
Schistosoma mansoni hypothetical protein 0.0173 0.0597 0.0662
Echinococcus granulosus dna polymerase kappa 0.0039 0.006 0.0037
Brugia malayi ImpB/MucB/SamB family protein 0.0065 0.0163 0.1285
Brugia malayi jmjC domain containing protein 0.0098 0.0295 0.2378
Echinococcus multilocularis kinesin family 1 0.2526 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0036 0.0049 0.0025
Echinococcus granulosus dna polymerase eta 0.0065 0.0163 0.014

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.092 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) = 2.5119 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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