Detailed information for compound 267222

Basic information

Technical information
  • TDR Targets ID: 267222
  • Name: N,N-dimethyl-2-[(1-methyl-5-phenylimidazol-2- yl)sulfinylmethyl]aniline
  • MW: 339.455 | Formula: C19H21N3OS
  • H donors: 0 H acceptors: 2 LogP: 3.58 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: [O-][S+](c1ncc(n1C)c1ccccc1)Cc1ccccc1N(C)C
  • InChi: 1S/C19H21N3OS/c1-21(2)17-12-8-7-11-16(17)14-24(23)19-20-13-18(22(19)3)15-9-5-4-6-10-15/h4-13H,14H2,1-3H3
  • InChiKey: NGZQUAKBDIFPER-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N,N-dimethyl-2-[(1-methyl-5-phenyl-imidazol-2-yl)sulfinylmethyl]aniline
  • N,N-dimethyl-2-[(1-methyl-5-phenyl-2-imidazolyl)sulfinylmethyl]aniline
  • dimethyl-[2-[(1-methyl-5-phenyl-imidazol-2-yl)sulfinylmethyl]phenyl]amine

Targets

Known targets for this compound

No curated genes were found associated with this compound

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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0022 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0974 0.1639
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0479 0.0755
Loa Loa (eye worm) hypothetical protein 0.0036 0.0479 0.0755
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0952 0.1499
Brugia malayi MAP kinase sur-1 0.0053 0.0974 0.1535
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0952 0.1499
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0022 0.5
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0022 0.5
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0022 0.5
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0022 0.0035
Echinococcus multilocularis beta adrenergic receptor kinase 0.002 0.0014 0.0014
Entamoeba histolytica exodeoxyribonuclease III, putative 0.002 0.0022 1
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.0974 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0974 1
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.002 0.0014 0.0022
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.0974 1
Echinococcus granulosus leukotriene A 4 hydrolase 0.0229 0.5945 0.5945
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0229 0.5945 0.9363
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0974 1
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0014 0.0023
Echinococcus multilocularis expressed protein 0.0372 1 1
Brugia malayi hypothetical protein 0.0105 0.2441 0.3844
Schistosoma mansoni hypothetical protein 0.0036 0.0479 0.0806
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0022 0.0022
Brugia malayi follicle stimulating hormone receptor 0.0243 0.6349 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0974 0.1535
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0952 0.1499
Trypanosoma brucei protein kinase, putative 0.0053 0.0974 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0243 0.6349 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0022 0.5
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0022 0.5
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.0974 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0022 0.0022
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0022 0.0225
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0229 0.5945 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0974 1
Schistosoma mansoni ap endonuclease 0.002 0.0022 0.0037
Brugia malayi Cytochrome P450 family protein 0.0049 0.0858 0.1352
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0974 0.0974
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.0974 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0974 0.0974
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0974 0.0974
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0229 0.5945 0.5945
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.002 0.0014 0.0022
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0974 1
Echinococcus granulosus beta-adrenergic receptor kinase 0.002 0.0014 0.0014
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.002 0.0014 0.0022
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.0974 1
Schistosoma mansoni ap endonuclease 0.002 0.0022 0.0037
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0014 0.0023
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0974 0.0974
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0022 0.0035
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0974 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0952 0.1499
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.0974 1
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.0974 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0049 0.0858 0.1352
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0974 1
Schistosoma mansoni serine/threonine protein kinase 0.002 0.0014 0.0023
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0022 0.0225

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) NA 0 uM Inhibition of H+/K+ ATPase from porcine gastric mucosal membrane vesicles ChEMBL. 8558532
Inhibition (functional) = 0 % Gastric antisecretory activity was tested in rats at 30 mg/kg, po expressed as the percentage of inhibition against the acid output of the control group ChEMBL. 8558532
Inhibition (functional) = 0 % Gastric antisecretory activity was tested in rats at 30 mg/kg, po expressed as the percentage of inhibition against the acid output of the control group ChEMBL. 8558532

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

1 literature reference was collected for this gene.

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