Detailed information for compound 862905

Basic information

Technical information
  • TDR Targets ID: 862905
  • Name: 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl) -2-phenylethyl]propanamide
  • MW: 335.443 | Formula: C21H25N3O
  • H donors: 1 H acceptors: 2 LogP: 3.98 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cn1c(nc2c1cccc2)C(NC(=O)C(C)(C)C)Cc1ccccc1
  • InChi: 1S/C21H25N3O/c1-21(2,3)20(25)23-17(14-15-10-6-5-7-11-15)19-22-16-12-8-9-13-18(16)24(19)4/h5-13,17H,14H2,1-4H3,(H,23,25)
  • InChiKey: LDEUBYHHIMLMQC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)-2-phenyl-ethyl]propanamide
  • 2,2-dimethyl-N-[1-(1-methyl-2-benzimidazolyl)-2-phenylethyl]propanamide
  • 2,2-dimethyl-N-[1-(1-methylbenzimidazol-2-yl)-2-phenyl-ethyl]propionamide
  • IFLab1_002516
  • T5458069

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
Schistosoma mansoni hypothetical protein 0.0049 0.091 0.091
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0181 1 1
Echinococcus multilocularis 0.0049 0.091 0.091
Mycobacterium leprae putative cytochrome p450 0.0049 0.091 0.5
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0049 0.091 0.2636
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0181 1 1
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0 0.5
Mycobacterium leprae Conserved hypothetical protein 0.0049 0.091 0.5
Leishmania major cytochrome p450-like protein 0.0049 0.091 0.091
Brugia malayi Cytochrome P450 family protein 0.0086 0.3451 0.3451
Loa Loa (eye worm) cytochrome P450 0.0049 0.091 0.0993
Loa Loa (eye worm) CYP4Cod1 0.0086 0.3451 0.3767
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0 0.5
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0181 1 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0049 0.091 0.2636
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0086 0.3451 0.2796
Brugia malayi Cytochrome P450 family protein 0.0086 0.3451 0.3451
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0 0.5
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0049 0.091 0.091
Trypanosoma cruzi cytochrome P450, putative 0.0086 0.3451 1
Echinococcus granulosus cytochrome P450 2K1 0.0049 0.091 0.091
Brugia malayi cytochrome P450 0.0049 0.091 0.091
Schistosoma mansoni cytochrome P450 0.0049 0.091 0.091
Toxoplasma gondii cytochrome p450 superfamily protein 0.0049 0.091 0.5
Loa Loa (eye worm) cytochrome P450 family protein 0.0133 0.67 0.7314
Loa Loa (eye worm) cytochrome P450 family protein 0.0086 0.3451 0.3767
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0049 0.091 0.2636
Loa Loa (eye worm) hypothetical protein 0.0037 0.0075 0.0081
Loa Loa (eye worm) cytochrome P450 family protein 0.0086 0.3451 0.3767
Trichomonas vaginalis conserved hypothetical protein 0.0036 0 0.5
Brugia malayi Cytochrome P450 family protein 0.0133 0.67 0.67
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0 0.5
Trypanosoma cruzi cytochrome P450, putative 0.0086 0.3451 1
Trypanosoma brucei cytochrome P450, putative 0.0086 0.3451 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0181 1 1
Leishmania major cytochrome p450-like protein 0.0086 0.3451 0.3451
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0181 1 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0169 0.9161 1
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0181 1 1
Brugia malayi Cytochrome P450 family protein 0.0049 0.091 0.091
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0049 0.091 0.2636
Leishmania major cytochrome p450-like protein 0.0049 0.091 0.091
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0181 1 1

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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