Detailed information for compound 1345177

Basic information

Technical information
  • TDR Targets ID: 1345177
  • Name: N,N-dimethyl-4-[2-[(4-methylphenyl)methylsulf anyl]4,5-dihydroimidazole-1-carbonyl]benzenes ulfonamide
  • MW: 417.545 | Formula: C20H23N3O3S2
  • H donors: 0 H acceptors: 3 LogP: 2.8 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cc1)CSC1=NCCN1C(=O)c1ccc(cc1)S(=O)(=O)N(C)C
  • InChi: 1S/C20H23N3O3S2/c1-15-4-6-16(7-5-15)14-27-20-21-12-13-23(20)19(24)17-8-10-18(11-9-17)28(25,26)22(2)3/h4-11H,12-14H2,1-3H3
  • InChiKey: XGOJPDLATQWJFS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-dimethyl-4-[[2-[(4-methylphenyl)methylthio]-4,5-dihydroimidazol-1-yl]-oxomethyl]benzenesulfonamide
  • N,N-dimethyl-4-[2-[(4-methylbenzyl)thio]4,5-dihydroimidazole-1-carbonyl]benzenesulfonamide
  • N,N-dimethyl-4-[[2-[(4-methylphenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]carbonyl]benzenesulfonamide
  • MLS000680408
  • SMR000324562
  • EU-0092890

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
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
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH2 0.0074 0.3238 0.9662
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0051 0.1785 0.171
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0074 0.3238 0.9662
Trypanosoma cruzi meiotic recombination protein DMC1, putative 0.0076 0.3348 1
Onchocerca volvulus 0.0033 0.0608 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0049 0.162 0.4696
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0608 0.0522
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0074 0.3238 0.9662
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0388 0.0914
Loa Loa (eye worm) hypothetical protein 0.0181 1 1
Entamoeba histolytica DNA repair protein RAD51, putative 0.0076 0.3348 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.057 0.0484
Schistosoma mansoni rad1 DNA damage checkpoint protein 0.0151 0.8134 0.8013
Plasmodium vivax hypothetical protein, conserved 0.0029 0.0388 0.0946
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0388 0.0914
Echinococcus granulosus dna repair protein rad51 1 0.0076 0.3348 0.2918
Brugia malayi intermediate filament protein 0.0033 0.0608 0.0608
Chlamydia trachomatis glyceraldehyde-3-phosphate dehydrogenase 0.0074 0.3238 1
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0074 0.3238 1
Trypanosoma brucei Cell cycle checkpoint protein RAD1-like, putative 0.0029 0.0388 0.0946
Brugia malayi DNA repair protein RAD51 homolog 1 0.0076 0.3348 0.3348
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0608 0.0522
Toxoplasma gondii meiotic recombination protein DMC1 family protein 0.0076 0.3348 1
Trypanosoma cruzi Cell cycle checkpoint protein RAD1-like, putative 0.0029 0.0388 0.116
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0074 0.3238 0.28
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, cytosolic 0.0074 0.3238 1
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0074 0.3238 0.9671
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0074 0.3238 0.9662
Brugia malayi Meiotic recombination protein DMC1/LIM15 homolog, putative 0.0024 0.0091 0.0091
Entamoeba histolytica hypothetical protein 0.0029 0.0388 0.0914
Echinococcus granulosus cell cycle checkpoint protein rad1 0.0151 0.8134 0.8013
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0074 0.3238 0.9671
Giardia lamblia DNA helicase 0.0051 0.1804 0.5445
Trypanosoma cruzi DNA repair protein RAD51, putative 0.0076 0.3348 1
Schistosoma mansoni apoptosis regulator bax 0.0181 1 1
Echinococcus granulosus DNA excision repair protein ERCC 1 0.0051 0.1804 0.1274
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0608 0.0608
Mycobacterium leprae Probable Holliday junction DNA helicase component RuvA 0.0051 0.1804 1
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0074 0.3238 0.28
Entamoeba histolytica hypothetical protein 0.0029 0.0388 0.0914
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0074 0.3238 0.28
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0049 0.162 0.1544
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0026 0.0164 0.0227
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0074 0.3238 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2043 0.1528
Loa Loa (eye worm) apoptosis regulator protein 0.0181 1 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2043 0.1528
Onchocerca volvulus 0.0033 0.0608 1
Toxoplasma gondii DNA repair protein rad10 subfamily protein 0.0051 0.1804 0.5261
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0181 1 1
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0181 1 1
Loa Loa (eye worm) rad51 0.0076 0.3348 0.3287
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0074 0.3238 0.9671
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0074 0.3238 0.9671
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0074 0.3238 0.9662
Brugia malayi Repair protein Rad1/Rec1/Rad17 containing protein 0.0151 0.8134 0.8134
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0074 0.3238 0.28
Echinococcus granulosus EGFP:Bcl2 fusion protein 0.0181 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.2043 0.2043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2043 0.1528
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0181 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2043 0.1528
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0074 0.3238 0.9671
Schistosoma mansoni excision repair cross-complementing 1 ercc1 0.0051 0.1804 0.1274
Trypanosoma cruzi DNA repair protein RAD51, putative 0.0076 0.3348 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.162 0.1544
Trichomonas vaginalis conserved hypothetical protein 0.0029 0.0388 0.0914
Trichomonas vaginalis meiosis-specific recA homolog Dmc1 0.0076 0.3348 1
Mycobacterium ulcerans glyceraldehyde 3-phosphate dehydrogenase Gap 0.0074 0.3238 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0074 0.3238 0.28
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, putative 0.0074 0.3238 0.9671
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0049 0.162 0.4696
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0049 0.162 0.1078
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.2043 0.197
Toxoplasma gondii glyceraldehyde-3-phosphate dehydrogenase GAPDH1 0.0074 0.3238 0.9662
Loa Loa (eye worm) hypothetical protein 0.0033 0.0608 0.0522
Echinococcus multilocularis glyceraldehyde 3 phosphate dehydrogenase 0.0074 0.3238 0.28
Trypanosoma cruzi glyceraldehyde 3-phosphate dehydrogenase, cytosolic, putative 0.0074 0.3238 0.9671
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0074 0.3238 0.9662
Loa Loa (eye worm) glyceraldehyde-3-phosphate dehydrogenase 0.0051 0.1785 0.171
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0074 0.3238 0.28
Schistosoma mansoni hypothetical protein 0.0181 1 1
Schistosoma mansoni DNA repair protein RAD51 0.0076 0.3348 0.2918
Trichomonas vaginalis cell cycle checkpoint protein RAD1, putative 0.0029 0.0388 0.0914
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0181 1 1
Echinococcus granulosus glyceraldehyde 3 phosphate dehydrogenase 0.0049 0.162 0.1078
Trypanosoma brucei glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0074 0.3238 1
Giardia lamblia hypothetical protein 0.0051 0.1804 0.5445
Giardia lamblia Glyceraldehyde 3-phosphate dehydrogenase 0.0049 0.1618 0.4852
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0049 0.1618 0.4832
Leishmania major glyceraldehyde 3-phosphate dehydrogenase, glycosomal 0.0074 0.3238 0.9662
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0074 0.3238 0.9662
Plasmodium vivax glyceraldehyde-3-phosphate dehydrogenase, putative 0.0074 0.3238 1
Loa Loa (eye worm) glyceraldehyde 3-phosphate dehydrogenase 0.0049 0.162 0.1544
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0074 0.3238 0.9662
Schistosoma mansoni hypothetical protein 0.0181 1 1
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0074 0.3238 0.3238
Trypanosoma cruzi meiotic recombination protein DMC1, putative 0.0076 0.3348 1
Trypanosoma cruzi glyceraldehyde-3-phosphate dehydrogenase, putative 0.0049 0.1618 0.4832
Loa Loa (eye worm) repair protein Rad1/Rec1/Rad17 containing protein 0.0151 0.8134 0.8117
Schistosoma mansoni glyceraldehyde-3-phosphate dehydrogenase (phosphorylating) 0.0074 0.3238 0.28
Wolbachia endosymbiont of Brugia malayi glyceraldehyde-3-phosphate dehydrogenase, GapA 0.0074 0.3238 1
Plasmodium falciparum glyceraldehyde-3-phosphate dehydrogenase 0.0074 0.3238 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.2043 0.1528
Treponema pallidum glyceraldehyde 3-phosphate dehydrogenase (gap) 0.0074 0.3238 1
Leishmania major RAD51/dmc1 protein 0.0076 0.3348 1
Trichomonas vaginalis glyceraldehyde 3-phosphate dehydrogenase, putative 0.0074 0.3238 0.9662
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.2043 0.1528
Echinococcus multilocularis dna repair protein rad51 1 0.0076 0.3348 0.2918
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.2043 0.1528
Brugia malayi Glyceraldehyde 3-phosphate dehydrogenase 0.0026 0.0164 0.0164
Echinococcus multilocularis DNA excision repair protein ERCC 1 0.0051 0.1804 0.1274
Echinococcus multilocularis cell cycle checkpoint protein rad1 0.0151 0.8134 0.8013
Schistosoma mansoni hypothetical protein 0.0181 1 1
Trypanosoma brucei glyceraldehyde-3-phosphate dehydrogenase, putative 0.0049 0.1618 0.4852
Leishmania major hypothetical protein, conserved 0.0029 0.0388 0.0914
Leishmania major glyceraldehyde-3-phosphate dehydrogenase-like protein 0.0049 0.1618 0.4688
Mycobacterium tuberculosis Probable holliday junction DNA helicase RuvA 0.0051 0.1804 1
Entamoeba histolytica glyceraldehyde-3-phosphate dehydrogenase, putative 0.0074 0.3238 0.9662

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.0795 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] 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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