Detailed information for compound 1407863

Basic information

Technical information
  • TDR Targets ID: 1407863
  • Name: 3,5-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol -5-yl)benzamide
  • MW: 281.309 | Formula: C16H15N3O2
  • H donors: 3 H acceptors: 3 LogP: 3.03 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)cc(c1)C(=O)Nc1ccc2c(c1)nc([nH]2)O
  • InChi: 1S/C16H15N3O2/c1-9-5-10(2)7-11(6-9)15(20)17-12-3-4-13-14(8-12)19-16(21)18-13/h3-8H,1-2H3,(H,17,20)(H2,18,19,21)
  • InChiKey: CKJGIIHVCVZMLC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2-keto-1,3-dihydrobenzimidazol-5-yl)-3,5-dimethyl-benzamide
  • SMR000300095
  • ZINC00588409
  • 3,5-dimethyl-N-(2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)benzamide
  • MLS000690537

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ataxin 2 Starlite/ChEMBL No references

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
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0131 0.0667 0.0667
Brugia malayi diacylglycerol acyltransferase 0.0131 0.0667 0.0667
Loa Loa (eye worm) hypothetical protein 0.0109 0.0503 0.0503
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0131 0.0667 1
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0131 0.0667 1
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0131 0.0667 0.1207
Brugia malayi hypothetical protein 0.036 0.2372 0.2372
Echinococcus granulosus leukotriene A 4 hydrolase 0.0784 0.5523 1
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0131 0.0667 1
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0131 0.0667 1
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0784 0.5523 1
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0131 0.0667 0.1207
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0784 0.5523 1
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0784 0.5523 0.5523
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0131 0.0667 0.1207

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0752 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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