Detailed information for compound 826711

Basic information

Technical information
  • TDR Targets ID: 826711
  • Name: N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan -2-yl)-2-(2-methylbenzimidazol-1-yl)acetamide
  • MW: 379.495 | Formula: C23H29N3O2
  • H donors: 0 H acceptors: 2 LogP: 4.47 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCC(N(c1c(C)cccc1CC)C(=O)Cn1c(C)nc2c1cccc2)C
  • InChi: 1S/C23H29N3O2/c1-6-19-11-9-10-16(2)23(19)26(17(3)15-28-5)22(27)14-25-18(4)24-20-12-7-8-13-21(20)25/h7-13,17H,6,14-15H2,1-5H3
  • InChiKey: XWDFKDJQTYHTCX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2-ethyl-6-methyl-phenyl)-N-(2-methoxy-1-methyl-ethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
  • N-(2-ethyl-6-methylphenyl)-N-(2-methoxy-1-methylethyl)-2-(2-methyl-1-benzimidazolyl)acetamide
  • N-(2-ethyl-6-methyl-phenyl)-N-(1-methoxypropan-2-yl)-2-(2-methylbenzimidazol-1-yl)ethanamide
  • STOCK3S-51327
  • Oprea1_116773

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
Trichomonas vaginalis CAMK family protein kinase 0.0836 0.294 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.0112 0.0298 0.5
Echinococcus granulosus neuroglian 0.011 0.0288 0.0052
Loa Loa (eye worm) AUR protein kinase 0.0233 0.0738 0.2202
Brugia malayi serine/threonine-protein kinase 6 0.0233 0.0738 0.1805
Echinococcus multilocularis Serine:threonine protein kinase PLK4 0.194 0.6973 1
Brugia malayi serine/threonine kinase 12 0.0233 0.0738 0.1805
Trypanosoma cruzi aurora B kinase, putative 0.0233 0.0738 0.1665
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.0112 0.0298 0.5
Loa Loa (eye worm) hypothetical protein 0.0122 0.0332 0.0766
Brugia malayi serine/threonine-protein kinase plk-2 0.0836 0.294 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0253 0.0484
Trypanosoma brucei aurora B kinase 0.0233 0.0738 0.1665
Echinococcus granulosus aurora kinase A 0.0233 0.0738 0.0722
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.0112 0.0298 0.5
Schistosoma mansoni defective proboscis extension response (dpr)-related 0.01 0.0253 0.0253
Trypanosoma cruzi polo-like protein kinase, putative 0.0836 0.294 1
Loa Loa (eye worm) TK/KIN16 protein kinase 0.0678 0.2364 0.796
Loa Loa (eye worm) CYP4Cod1 0.0175 0.0527 0.1454
Loa Loa (eye worm) AUR protein kinase 0.0233 0.0738 0.2202
Trichomonas vaginalis CAMK family protein kinase 0.0836 0.294 1
Mycobacterium leprae Conserved hypothetical protein 0.0112 0.0298 0.5
Onchocerca volvulus Tyrosine kinase homolog 0.0575 0.1989 0.0669
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.0112 0.0298 0.5
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.0112 0.0298 0.5
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.0112 0.0298 0.5
Loa Loa (eye worm) hypothetical protein 0.0112 0.0297 0.0643
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.0112 0.0298 0.5
Schistosoma mansoni protein kinase 0.0233 0.0738 0.0738
Trichomonas vaginalis CAMK family protein kinase 0.0836 0.294 1
Trypanosoma cruzi cytochrome P450, putative 0.0175 0.0527 0.0866
Loa Loa (eye worm) hypothetical protein 0.01 0.0253 0.0484
Echinococcus granulosus serine:threonine protein kinase 12 B 0.0233 0.0738 0.0722
Loa Loa (eye worm) hypothetical protein 0.01 0.0253 0.0484
Brugia malayi Cytochrome P450 family protein 0.0112 0.0298 0.0168
Trypanosoma cruzi cytochrome P450, putative 0.0175 0.0527 0.0866
Schistosoma mansoni hypothetical protein 0.0112 0.0298 0.0298
Schistosoma mansoni cytochrome P450 0.0112 0.0298 0.0298
Trichomonas vaginalis CAMK family protein kinase 0.0836 0.294 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0836 0.294 1
Trichomonas vaginalis CAMK family protein kinase 0.0836 0.294 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0836 0.294 1
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.0112 0.0298 0.5
Loa Loa (eye worm) hypothetical protein 0.01 0.0253 0.0484
Mycobacterium leprae putative cytochrome p450 0.0112 0.0298 0.5
Schistosoma mansoni serine/threonine protein kinase 0.0836 0.294 0.294
Giardia lamblia Kinase, PLK 0.0836 0.294 1
Brugia malayi Cytochrome P450 family protein 0.0175 0.0527 0.1019
Brugia malayi cytochrome P450 0.0112 0.0298 0.0168
Toxoplasma gondii aurora kinase 0.0233 0.0738 1
Schistosoma mansoni Neurotrimin precursor (hNT) 0.01 0.0253 0.0253
Trypanosoma brucei polo-like protein kinase 0.0836 0.294 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0253 0.0484
Plasmodium falciparum serine/threonine protein kinase, putative 0.0233 0.0738 0.5
Echinococcus multilocularis neuroglian 0.011 0.0288 0.0052
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.0112 0.0298 0.5
Loa Loa (eye worm) hypothetical protein 0.0122 0.0332 0.0766
Echinococcus granulosus Serine:threonine protein kinase PLK4 0.194 0.6973 1
Brugia malayi Immunoglobulin I-set domain containing protein 0.0678 0.2364 0.7856
Schistosoma mansoni serine/threonine protein kinase 0.0233 0.0738 0.0738
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0836 0.294 1
Echinococcus granulosus cytochrome P450 2K1 0.0112 0.0298 0.0067
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0175 0.0527 1
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.0112 0.0298 0.5
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0836 0.294 0.3999
Brugia malayi serine/threonine protein kinase 6 0.0233 0.0738 0.1805
Brugia malayi Cytochrome P450 family protein 0.0175 0.0527 0.1019
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.0112 0.0298 0.5
Schistosoma mansoni cell adhesion molecule 0.0112 0.0297 0.0297
Echinococcus granulosus twitchin 0.0117 0.0314 0.0091
Echinococcus multilocularis aurora kinase A 0.0233 0.0738 0.0722
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.0112 0.0298 0.5
Loa Loa (eye worm) AUR protein kinase 0.0233 0.0738 0.2202
Trypanosoma brucei cytochrome P450, putative 0.0175 0.0527 0.0866
Schistosoma mansoni vesicular amine transporter 0.01 0.0253 0.0253
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.0112 0.0298 0.5
Plasmodium vivax serine/threonine protein kinase 6, putative 0.0233 0.0738 0.5
Echinococcus granulosus neurotracting:lsamp:neurotrimin:obcam 0.0112 0.0297 0.0067
Onchocerca volvulus Serine\/threonine kinase homolog 0.0836 0.294 1
Loa Loa (eye worm) hypothetical protein 0.01 0.0253 0.0484
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.0112 0.0298 0.5
Echinococcus multilocularis roundabout 2 0.0122 0.0332 0.0119
Leishmania major cytochrome p450-like protein 0.0175 0.0527 0.0866
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.0112 0.0298 0.5
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.0112 0.0298 0.5
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.0112 0.0298 0.5
Loa Loa (eye worm) cytochrome P450 0.0112 0.0298 0.0644
Leishmania major protein kinase, putative 0.0233 0.0738 0.1665
Brugia malayi Cytochrome P450 family protein 0.0423 0.1434 0.4394
Loa Loa (eye worm) cytochrome P450 family protein 0.0423 0.1434 0.4666
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.0112 0.0298 0.5
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.0112 0.0298 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0175 0.0527 0.1454
Trichomonas vaginalis CAMK family protein kinase 0.0836 0.294 1
Echinococcus multilocularis 0.0112 0.0298 0.0067
Trichomonas vaginalis CAMK family protein kinase 0.0836 0.294 1
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.0112 0.0298 0.5
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0836 0.294 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0836 0.294 0.3999
Echinococcus multilocularis serine:threonine protein kinase 12 B 0.0233 0.0738 0.0722
Echinococcus granulosus roundabout 2 0.0122 0.0332 0.0119
Schistosoma mansoni nephrin 0.011 0.0288 0.0288
Loa Loa (eye worm) cytochrome P450 family protein 0.0175 0.0527 0.1454

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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