Detailed information for compound 895784

Basic information

Technical information
  • TDR Targets ID: 895784
  • Name: 2,2-dimethyl-N-[2-[1-(2-phenylethyl)benzimida zol-2-yl]ethyl]propanamide
  • MW: 349.469 | Formula: C22H27N3O
  • H donors: 1 H acceptors: 2 LogP: 4.34 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C(C)(C)C)NCCc1nc2c(n1CCc1ccccc1)cccc2
  • InChi: 1S/C22H27N3O/c1-22(2,3)21(26)23-15-13-20-24-18-11-7-8-12-19(18)25(20)16-14-17-9-5-4-6-10-17/h4-12H,13-16H2,1-3H3,(H,23,26)
  • InChiKey: DDFBRKBCQBMTFS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2,2-dimethyl-N-[2-[1-(2-phenylethyl)-2-benzimidazolyl]ethyl]propanamide
  • 2,2-dimethyl-N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propionamide
  • 2,2-Dimethyl-N-[2-(1-phenethyl-1H-benzoimidazol-2-yl)-ethyl]-propionamide
  • BAS 11136508

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
Plasmodium falciparum serine/threonine protein kinase, putative 0.0615 0.094 0.5
Echinococcus multilocularis roundabout 2 0.0051 0.0017 0.0024
Schistosoma mansoni tyrosine kinase 0.012 0.013 0.013
Loa Loa (eye worm) hypothetical protein 0.0047 0.0011 0.0032
Echinococcus granulosus roundabout 2 0.0051 0.0017 0.0015
Loa Loa (eye worm) cytochrome P450 family protein 0.0444 0.066 0.2217
Echinococcus multilocularis Immunoglobulin 0.0218 0.0291 0.0417
Echinococcus multilocularis peroxidasin 0.0047 0.0011 0.0016
Echinococcus multilocularis neuroglian 0.0242 0.033 0.0472
Trichomonas vaginalis CAMK family protein kinase 0.1858 0.2974 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.1858 0.2974 0.4251
Echinococcus multilocularis neuroglian 0.0051 0.0017 0.0024
Brugia malayi Cytochrome P450 family protein 0.0444 0.066 0.2217
Brugia malayi Immunoglobulin I-set domain containing protein 0.0047 0.0011 0.0032
Entamoeba histolytica serine/threonine protein kinase, putative 0.1858 0.2974 1
Echinococcus granulosus receptor type tyrosine protein phosphatase 0.0051 0.0017 0.0015
Loa Loa (eye worm) hypothetical protein 0.0047 0.0011 0.0032
Echinococcus multilocularis contactin neuroglian septate junction protein 0.0051 0.0017 0.0024
Toxoplasma gondii aurora kinase 0.0615 0.094 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0267 0.0371 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0011 0.0032
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0267 0.0371 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0267 0.0371 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0044 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0267 0.0371 0.0371
Schistosoma mansoni septate junction protein 0.0047 0.0011 0.0011
Brugia malayi Immunoglobulin I-set domain containing protein 0.0047 0.0011 0.0032
Brugia malayi Cytochrome P450 family protein 0.1036 0.1629 0.5477
Trichomonas vaginalis CAMK family protein kinase 0.1858 0.2974 1
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0067 0.0044 0.0144
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0051 0.0017 0.0024
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0059 0.0059
Echinococcus multilocularis 0.0267 0.0371 0.0532
Trypanosoma cruzi aurora B kinase, putative 0.0615 0.094 0.2186
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.0017 0.0052
Loa Loa (eye worm) hypothetical protein 0.0222 0.0297 0.0995
Schistosoma mansoni titin 0.0044 0.0006 0.0006
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0032 0.0105
Schistosoma mansoni cell adhesion molecule 0.0245 0.0335 0.0335
Loa Loa (eye worm) AUR protein kinase 0.0615 0.094 0.3159
Loa Loa (eye worm) AUR protein kinase 0.0615 0.094 0.3159
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0267 0.0371 0.5
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0032 0.0105
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0615 0.094 0.1346
Schistosoma mansoni hypothetical protein 0.0041 0.0001 0.0001
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.4312 0.6988 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0047 0.0011 0.0032
Echinococcus granulosus roundabout 2 0.0051 0.0017 0.0015
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0059 0.0195
Echinococcus granulosus neuroglian 0.0051 0.0017 0.0015
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.1858 0.2974 1
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0267 0.0371 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0267 0.0371 0.5
Echinococcus granulosus peroxidasin 0.0047 0.0011 0.0008
Echinococcus multilocularis roundabout 2 0.0051 0.0017 0.0024
Schistosoma mansoni septate junction protein 0.0047 0.0011 0.0011
Brugia malayi Prion-like- 0.0047 0.0011 0.0032
Echinococcus granulosus aurora kinase A 0.0615 0.094 0.1338
Loa Loa (eye worm) hypothetical protein 0.0051 0.0017 0.0052
Onchocerca volvulus Basement membrane proteoglycan homolog 0.0047 0.0011 0.0017
Trichomonas vaginalis CAMK family protein kinase 0.1858 0.2974 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0444 0.066 0.2217
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.0218 0.0291 0.0291
Loa Loa (eye worm) hypothetical protein 0.0222 0.0297 0.0995
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0059 0.0059
Loa Loa (eye worm) hypothetical protein 0.0265 0.0368 0.1234
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0615 0.094 0.5
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0267 0.0371 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0267 0.0371 0.5
Echinococcus multilocularis aurora kinase A 0.0615 0.094 0.1346
Brugia malayi protein unc-22 0.0044 0.0006 0.0015
Brugia malayi serine/threonine kinase 12 0.0615 0.094 0.3159
Schistosoma mansoni cytochrome P450 0.0267 0.0371 0.0371
Echinococcus multilocularis neurotracting:lsamp:neurotrimin:obcam 0.0047 0.0011 0.0015
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0267 0.0371 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0267 0.0371 0.5
Schistosoma mansoni serine/threonine protein kinase 0.1858 0.2974 0.2974
Brugia malayi Immunoglobulin I-set domain containing protein 0.0222 0.0297 0.0995
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0267 0.0371 0.5
Trichomonas vaginalis CAMK family protein kinase 0.1858 0.2974 1
Echinococcus multilocularis tyrosine protein kinase transmembrane receptor 0.0046 0.0008 0.0012
Leishmania major cytochrome p450-like protein 0.0444 0.066 0.111
Leishmania major protein kinase, putative 0.0615 0.094 0.2186
Brugia malayi TAR-binding protein 0.0076 0.0059 0.0195
Schistosoma mansoni roundabout 0.0047 0.0011 0.0011
Brugia malayi Immunoglobulin I-set domain containing protein 0.0047 0.0011 0.0032
Loa Loa (eye worm) hypothetical protein 0.0265 0.0368 0.1234
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0267 0.0371 0.5
Echinococcus multilocularis titin 0.0044 0.0006 0.0008
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0267 0.0371 0.5
Loa Loa (eye worm) AUR protein kinase 0.0615 0.094 0.3159
Echinococcus multilocularis lachesin 0.0047 0.0011 0.0015
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.0017 0.0052
Loa Loa (eye worm) hypothetical protein 0.0222 0.0297 0.0995
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0267 0.0371 0.5
Echinococcus multilocularis tyrosine protein kinase otk 0.0047 0.0011 0.0015
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.1858 0.2974 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.0059 0.0076
Loa Loa (eye worm) hypothetical protein 0.0177 0.0223 0.0745
Schistosoma mansoni protein kinase 0.0615 0.094 0.094
Trypanosoma cruzi polo-like protein kinase, putative 0.1858 0.2974 1
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0051 0.0017 0.0052
Trypanosoma cruzi cytochrome P450, putative 0.0444 0.066 0.111
Brugia malayi Peroxidasin 0.0047 0.0011 0.0033
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0047 0.0011 0.0032
Echinococcus granulosus neuroglian 0.0242 0.033 0.0464
Loa Loa (eye worm) hypothetical protein 0.0218 0.0291 0.0975
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0267 0.0371 0.5
Loa Loa (eye worm) immunoglobulin I-set domain-containing protein 0.0047 0.0011 0.0032
Brugia malayi Immunoglobulin I-set domain containing protein 0.0047 0.0011 0.0032
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0059 0.0059
Brugia malayi hypothetical protein 0.0222 0.0297 0.0995
Echinococcus multilocularis hemicentin 1 0.0047 0.0011 0.0015
Brugia malayi RNA binding protein 0.0076 0.0059 0.0195
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0059 0.0195
Onchocerca volvulus Serine\/threonine kinase homolog 0.1858 0.2974 1
Loa Loa (eye worm) hypothetical protein 0.0219 0.0291 0.0976
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0267 0.0371 0.5
Echinococcus multilocularis basement membrane specific heparan sulfate 0.0218 0.0291 0.0417
Echinococcus granulosus twitchin 0.0259 0.0357 0.0503
Schistosoma mansoni receptor tyrosine phosphatase type r2a 0.0051 0.0017 0.0017
Echinococcus granulosus lachesin 0.0047 0.0011 0.0007
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0267 0.0371 0.5
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0059 0.0085
Loa Loa (eye worm) CYP4Cod1 0.0444 0.066 0.2217
Brugia malayi Cytochrome P450 family protein 0.0267 0.0371 0.1245
Schistosoma mansoni cell adhesion molecule 0.0051 0.0017 0.0017
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0059 0.0059
Brugia malayi Immunoglobulin I-set domain containing protein 0.0047 0.0011 0.0032
Loa Loa (eye worm) TK/ROR protein kinase 0.0046 0.0008 0.0024
Onchocerca volvulus Tyrosine kinase homolog 0.1109 0.1748 0.587
Trichomonas vaginalis CAMK family protein kinase 0.1858 0.2974 1
Echinococcus granulosus hemicentin 1 0.0047 0.0011 0.0007
Echinococcus granulosus defective proboscis extension response 0.0218 0.0291 0.0409
Brugia malayi serine/threonine-protein kinase 6 0.0615 0.094 0.3159
Brugia malayi Immunoglobulin I-set domain containing protein 0.0044 0.0006 0.0015
Trichomonas vaginalis CAMK family protein kinase 0.1858 0.2974 1
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0242 0.0329 0.0463
Trichomonas vaginalis CAMK family protein kinase 0.1858 0.2974 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.1327 0.2105 0.7077
Echinococcus multilocularis basic fibroblast growth factor receptor 1 A 0.012 0.013 0.0185
Schistosoma mansoni nephrin 0.0051 0.0017 0.0017
Echinococcus granulosus cytochrome P450 2K1 0.0267 0.0371 0.0524
Loa Loa (eye worm) hypothetical protein 0.0047 0.0011 0.0032
Loa Loa (eye worm) hypothetical protein 0.0218 0.0291 0.0975
Brugia malayi serine/threonine-protein kinase plk-2 0.1858 0.2974 1
Loa Loa (eye worm) CAMK protein kinase 0.0044 0.0006 0.0015
Echinococcus multilocularis hemicentin 1 0.0047 0.0011 0.0015
Loa Loa (eye worm) hypothetical protein 0.0047 0.0011 0.0032
Brugia malayi cytochrome P450 0.0267 0.0371 0.1245
Echinococcus granulosus contactin 0.0051 0.0017 0.0015
Echinococcus multilocularis roundabout 2 0.0269 0.0374 0.0535
Brugia malayi serine/threonine protein kinase 6 0.0615 0.094 0.3159
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0267 0.0371 0.5
Schistosoma mansoni titin 0.0047 0.0011 0.0011
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0444 0.066 1
Mycobacterium leprae putative cytochrome p450 0.0267 0.0371 0.5
Schistosoma mansoni neuroglian 0.0051 0.0017 0.0017
Trypanosoma brucei polo-like protein kinase 0.1858 0.2974 1
Echinococcus granulosus Immunoglobulin 0.0218 0.0291 0.0409
Schistosoma mansoni serine/threonine protein kinase 0.0615 0.094 0.094
Onchocerca volvulus 0.1063 0.1674 0.5619
Loa Loa (eye worm) cytochrome P450 family protein 0.1036 0.1629 0.5477
Echinococcus multilocularis Immunoglobulin 0.0218 0.0291 0.0417
Loa Loa (eye worm) CAMK/MLCK protein kinase 0.0044 0.0006 0.0015
Schistosoma mansoni cell adhesion molecule 0.0047 0.0011 0.0011
Trypanosoma brucei aurora B kinase 0.0615 0.094 0.2186
Brugia malayi Cytochrome P450 family protein 0.0444 0.066 0.2217
Schistosoma mansoni nephrin 0.0245 0.0336 0.0336
Giardia lamblia Kinase, PLK 0.1858 0.2974 1
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0267 0.0371 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0444 0.066 0.111
Schistosoma mansoni Neurotrimin precursor (hNT) 0.0218 0.0291 0.0291
Echinococcus granulosus fibroblast growth factor receptor 4 0.012 0.013 0.0177
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0059 0.0059
Schistosoma mansoni neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule 0.0047 0.0011 0.0011
Loa Loa (eye worm) RNA binding protein 0.0076 0.0059 0.0195
Brugia malayi hypothetical protein 0.0314 0.0447 0.15
Brugia malayi Immunoglobulin I-set domain containing protein 0.0051 0.0017 0.0052
Loa Loa (eye worm) cytochrome P450 0.0267 0.0371 0.1245
Brugia malayi Immunoglobulin I-set domain containing protein 0.0143 0.0168 0.0562
Echinococcus multilocularis fibroblast growth factor receptor 4 0.012 0.013 0.0185
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0032 0.0105
Schistosoma mansoni cell adhesion molecule 0.0051 0.0017 0.0017
Schistosoma mansoni tyrosine kinase 0.0069 0.0047 0.0047
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0059 0.0195
Echinococcus granulosus roundabout 2 0.0269 0.0374 0.0527
Schistosoma mansoni vesicular amine transporter 0.0218 0.0291 0.0291
Echinococcus multilocularis receptor type tyrosine protein phosphatase 0.0051 0.0017 0.0024
Echinococcus granulosus basic fibroblast growth factor receptor 1 A 0.012 0.013 0.0177
Trypanosoma cruzi polo-like protein kinase, putative 0.1858 0.2974 1
Trypanosoma brucei cytochrome P450, putative 0.0444 0.066 0.111
Loa Loa (eye worm) TK protein kinase 0.0143 0.0168 0.0562
Echinococcus granulosus tyrosine protein kinase transmembrane receptor 0.0046 0.0008 0.0004
Loa Loa (eye worm) hypothetical protein 0.0242 0.0329 0.1104
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.1858 0.2974 0.4256
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0615 0.094 0.1338
Brugia malayi Fibronectin type III domain containing protein 0.0222 0.0297 0.0995
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0267 0.0371 0.5
Loa Loa (eye worm) hypothetical protein 0.0047 0.0011 0.0033
Loa Loa (eye worm) hypothetical protein 0.006 0.0032 0.0105
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.4312 0.6988 1
Loa Loa (eye worm) hypothetical protein 0.0314 0.0447 0.15
Loa Loa (eye worm) hypothetical protein 0.0047 0.0011 0.0032
Loa Loa (eye worm) TK/KIN16 protein kinase 0.1327 0.2105 0.7077
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0267 0.0371 0.5
Echinococcus multilocularis receptor type tyrosine protein phosphatase F 0.0051 0.0017 0.0024
Echinococcus granulosus tyrosine protein kinase otk 0.0047 0.0011 0.0007

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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