Detailed information for compound 1804062

Basic information

Technical information
  • TDR Targets ID: 1804062
  • Name: 2-[(4-tert-butylphenoxy)methyl]-1-methylbenzi midazole
  • MW: 294.391 | Formula: C19H22N2O
  • H donors: 0 H acceptors: 1 LogP: 4.61 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(COc2ccc(cc2)C(C)(C)C)nc2c1cccc2
  • InChi: 1S/C19H22N2O/c1-19(2,3)14-9-11-15(12-10-14)22-13-18-20-16-7-5-6-8-17(16)21(18)4/h5-12H,13H2,1-4H3
  • InChiKey: HMAOYIGTLUIXKX-UHFFFAOYSA-N  

Network

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Synonyms

  • 2-[(4-tert-butylphenoxy)methyl]-1-methyl-benzimidazole
  • STOCK3S-47168
  • ZINC00551721
  • AE-848/42487821

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
Brugia malayi Protein kinase domain containing protein 0.0094 0.0485 0.0189
Trichomonas vaginalis CMGC family protein kinase 0.0382 0.7338 1
Leishmania major protein kinase, putative,dual-specificity protein kinase, putative 0.0382 0.7338 1
Leishmania major serine/threonine kinase-like protein, putative 0.0088 0.0346 0.006
Giardia lamblia Kinase, CMGC DYRK 0.0382 0.7338 1
Loa Loa (eye worm) AGC/PDK1 protein kinase 0.0088 0.0346 0.0346
Schistosoma mansoni serine/threonine protein kinase 0.0382 0.7338 0.7336
Echinococcus granulosus acetylcholinesterase 0.0132 0.1379 0.1163
Trichomonas vaginalis CMGC family protein kinase 0.0382 0.7338 1
Echinococcus granulosus carboxylesterase 5A 0.0132 0.1379 0.1163
Echinococcus multilocularis Hepatocellular carcinoma associated antigen 59 0.0138 0.1517 0.1306
Schistosoma mansoni protein kinase 0.0088 0.0346 0.0093
Loa Loa (eye worm) hypothetical protein 0.0138 0.1517 0.1517
Onchocerca volvulus Putative endochitinase 0.0097 0.0553 0.2052
Loa Loa (eye worm) carboxylesterase 0.0132 0.1379 0.1379
Brugia malayi Endochitinase 0.0097 0.0553 0.0259
Loa Loa (eye worm) CMGC/CDK/CRK7 protein kinase 0.0088 0.0346 0.0346
Entamoeba histolytica cell division protein kinase 2, putative 0.0088 0.0346 0.0127
Entamoeba histolytica hypothetical protein 0.0094 0.0485 0.0324
Echinococcus granulosus dual specificity 0.0382 0.7338 0.7336
Brugia malayi cyclin-dependent kinase 7 homolog 0.0088 0.0346 0.0044
Echinococcus granulosus Hepatocellular carcinoma associated antigen 59 0.0138 0.1517 0.1306
Brugia malayi Hepatocellular carcinoma-associated antigen 59 family protein 0.0138 0.1517 0.1263
Schistosoma mansoni hypothetical protein 0.0138 0.1517 0.1306
Echinococcus granulosus acetylcholinesterase 0.0132 0.1379 0.1163
Echinococcus granulosus dual specificity 0.0094 0.0485 0.0237
Echinococcus multilocularis serine:threonine protein kinase haspin 0.049 0.991 1
Trichomonas vaginalis CMGC family protein kinase 0.0382 0.7338 1
Entamoeba histolytica protein kinase, putative 0.0094 0.0485 0.0324
Brugia malayi Cell division protein kinase 2 0.0088 0.0346 0.0044
Loa Loa (eye worm) CMGC/DYRK/DYRK2 protein kinase 0.0382 0.7338 0.7338
Echinococcus granulosus serine:threonine protein kinase NLK 0.0088 0.0346 0.0093
Mycobacterium tuberculosis Possible chitinase 0.0074 0 0.5
Entamoeba histolytica protein kinase domain containing protein 0.0382 0.7338 1
Trypanosoma brucei dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0382 0.7338 1
Echinococcus multilocularis cyclin dependent kinase 9 0.0088 0.0346 0.0093
Loa Loa (eye worm) hypothetical protein 0.0132 0.1379 0.1379
Echinococcus multilocularis dual specificity 0.0382 0.7338 0.7336
Trichomonas vaginalis CMGC family protein kinase 0.0382 0.7338 1
Trypanosoma brucei CMGC/DYRK protein kinase, putative 0.0094 0.0485 0.0199
Loa Loa (eye worm) hypothetical protein 0.0138 0.1517 0.1517
Brugia malayi Dual-specificity tyrosine-phosphorylation regulated kinase 2 0.0382 0.7338 0.7323
Brugia malayi Carboxylesterase family protein 0.0132 0.1379 0.1119
Plasmodium falciparum conserved protein, unknown function 0.0138 0.1517 1
Loa Loa (eye worm) hypothetical protein 0.009 0.0395 0.0395
Schistosoma mansoni serine/threonine protein kinase 0.0088 0.0346 0.0093
Echinococcus granulosus cyclin dependent kinase 9 0.0088 0.0346 0.0093
Loa Loa (eye worm) hypothetical protein 0.009 0.0395 0.0395
Entamoeba histolytica protein kinase domain containing protein 0.0094 0.0485 0.0324
Echinococcus multilocularis dual specificity 0.0094 0.0485 0.0237
Loa Loa (eye worm) cuticular endochitinase 0.0087 0.0304 0.0304
Echinococcus multilocularis acetylcholinesterase 0.0132 0.1379 0.1163
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0094 0.0485 0.0199
Loa Loa (eye worm) microfilarial chitinase 0.0084 0.0249 0.0249
Loa Loa (eye worm) acetylcholinesterase 1 0.0132 0.1379 0.1379
Entamoeba histolytica protein kinase, putative 0.0094 0.0485 0.0324
Echinococcus multilocularis serine:threonine protein kinase NLK 0.0088 0.0346 0.0093
Echinococcus multilocularis Cell division cycle 2 protein kinase 0.0088 0.0346 0.0093
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0132 0.1379 0.1163
Trichomonas vaginalis CMGC family protein kinase 0.0382 0.7338 1
Trypanosoma cruzi CMGC/DYRK protein kinase, putative 0.0094 0.0485 0.0199
Loa Loa (eye worm) hypothetical protein 0.0132 0.1379 0.1379
Schistosoma mansoni serine/threonine kinase 0.0088 0.0346 0.0093
Leishmania major serine/threonine-protein kinase, putative,protein kinase, putative 0.0094 0.0485 0.0258
Echinococcus multilocularis carboxylesterase 5A 0.0132 0.1379 0.1163
Echinococcus granulosus dual specificity 0.0382 0.7338 0.7336
Loa Loa (eye worm) CMGC/DYRK/DYRK1 protein kinase 0.0094 0.0485 0.0485
Echinococcus granulosus dual specificity 0.0382 0.7338 0.7336
Brugia malayi Carboxylesterase family protein 0.0132 0.1379 0.1119
Echinococcus granulosus mitogen activated protein kinase 15 0.0088 0.0346 0.0093
Schistosoma mansoni hypothetical protein 0.049 0.991 1
Plasmodium vivax hypothetical protein, conserved 0.0138 0.1517 1
Brugia malayi endochitinase 0.0097 0.0553 0.0259
Leishmania major mitogen-activated protein kinase, putative,map kinase-like protein 0.0088 0.0346 0.006
Echinococcus multilocularis dual specificity 0.0382 0.7338 0.7336
Entamoeba histolytica protein kinase domain containing protein 0.0088 0.0346 0.0127
Loa Loa (eye worm) chitinase I 0.0087 0.0304 0.0304
Echinococcus granulosus Cell division cycle 2 protein kinase 0.0088 0.0346 0.0093
Echinococcus granulosus serine:threonine protein kinase haspin 0.049 0.991 1
Brugia malayi Protein kinase domain containing protein 0.0088 0.0346 0.0044
Onchocerca volvulus Putative endochitinase 0.0097 0.0553 0.2052
Brugia malayi hypothetical protein 0.049 0.991 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.049 0.991 1
Trichomonas vaginalis CMGC family protein kinase 0.0382 0.7338 1
Toxoplasma gondii cell-cycle-associated protein kinase DYRK2, putative 0.0382 0.7338 1
Onchocerca volvulus 0.0138 0.1517 1
Entamoeba histolytica protein kinase, putative 0.0382 0.7338 1
Schistosoma mansoni serine/threonine protein kinase 0.0094 0.0485 0.0237
Onchocerca volvulus Putative endochitinase 0.0097 0.0553 0.2052
Onchocerca volvulus 0.0138 0.1517 1
Entamoeba histolytica chitinase, putative 0.0087 0.0304 0.0068
Echinococcus multilocularis acetylcholinesterase 0.0132 0.1379 0.1163
Trypanosoma cruzi dual specificity tyrosine-phosphorylation-regulated kinase 2, putative 0.0382 0.7338 1
Mycobacterium ulcerans chitinase/cellulase 0.0074 0 0.5
Loa Loa (eye worm) haspin protein kinase 0.049 0.991 0.991
Echinococcus multilocularis dual specificity 0.0382 0.7338 0.7336
Echinococcus multilocularis serine:threonine protein kinase haspin 0.049 0.991 1
Mycobacterium ulcerans chitinase/cellulase 0.0074 0 0.5
Brugia malayi GSG2 0.049 0.991 1
Echinococcus granulosus serine:threonine protein kinase haspin 0.049 0.991 1
Loa Loa (eye worm) haspin protein kinase 0.049 0.991 0.991

Activities

No activities found for this compound.

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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