Detailed information for compound 1471801

Basic information

Technical information
  • TDR Targets ID: 1471801
  • Name: 2-(trifluoromethyl)-3H-benzimidazol-5-amine
  • MW: 201.149 | Formula: C8H6F3N3
  • H donors: 2 H acceptors: 1 LogP: 1.73 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1ccc2c(c1)nc([nH]2)C(F)(F)F
  • InChi: 1S/C8H6F3N3/c9-8(10,11)7-13-5-2-1-4(12)3-6(5)14-7/h1-3H,12H2,(H,13,14)
  • InChiKey: CKEKFQLHCAZGSP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [2-(trifluoromethyl)-3H-benzimidazol-5-yl]amine
  • 3671-66-7
  • 2-Trifluoromethyl-3H-benzoimidazol-5-ylamine
  • BAS 01561874
  • ChemDiv3_006760
  • 1H-Benzimidazol-5-amine, 2-(trifluoromethyl)-
  • 5-Amino-2-(trifluoromethyl)benzimidazole
  • BENZIMIDAZOLE, 5-AMINO-2-(TRIFLUOROMETHYL)-
  • BRN 0959064
  • ZINC00873419
  • 579483_ALDRICH
  • SBB010090
  • ZERO/008333
  • IDI1_024670

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
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0725 0.1921 0.0835
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.1171 0.5032 1
Loa Loa (eye worm) hypothetical protein 0.1447 0.6953 0.6953
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.1447 0.6953 1
Echinococcus multilocularis prolyl endopeptidase 0.1447 0.6953 0.6229
Trypanosoma cruzi prolyl endopeptidase 0.1447 0.6953 1
Loa Loa (eye worm) prolyl oligopeptidase 0.1885 1 1
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1447 0.6953 0.6229
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0725 0.1921 0.0835
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.1885 1 1
Echinococcus granulosus prolyl endopeptidase 0.1447 0.6953 0.6229
Brugia malayi prolyl oligopeptidase family protein 0.0725 0.1921 0.1921
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0725 0.1921 0.0835
Mycobacterium leprae PROBABLE PROTEASE II PTRBB (OLIGOPEPTIDASE B) 0.0659 0.1462 0.5
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.1885 1 1
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.1885 1 1
Brugia malayi prolyl oligopeptidase family protein 0.1447 0.6953 0.6953
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0725 0.1921 0.0835
Trypanosoma brucei prolyl endopeptidase 0.1447 0.6953 1
Toxoplasma gondii prolyl endopeptidase 0.1447 0.6953 1
Mycobacterium ulcerans protease II (oligopeptidase B), PtrB 0.0659 0.1462 0.5
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.1447 0.6953 0.6229
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.1885 1 1
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0725 0.1921 0.0835

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) < 25 % Inhibition of wild type PI3K p110alpha/p85alpha niSH2 (unknown origin) expressed in baculovirus infected sf9 cells assessed as reduction in PIP3 formation at 100 uM using PIP2 as substrate after 45 mins by fluorescence polarization assay relative to control LITERATURE. 28129991
Inhibition (binding) < 25 % Inhibition of full length PI3Kalpha (unknown origin) assessed as reduction in PIP3 formation at 100 uM using PIP2 as substrate after 45 mins by fluorescence polarization assay relative to control LITERATURE. 28129991

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

1 literature reference was collected for this gene.

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