Detailed information for compound 266681

Basic information

Technical information
  • TDR Targets ID: 266681
  • Name: triphenyl-[(2,6,6-trimethylcyclohexen-1-yl)me thyl]phosphanium bromide
  • MW: 479.431 | Formula: C28H32BrP
  • H donors: 0 H acceptors: 0 LogP: 7.97 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1=C(C[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(CCC1)(C)C.[Br-]
  • InChi: 1S/C28H32P.BrH/c1-23-14-13-21-28(2,3)27(23)22-29(24-15-7-4-8-16-24,25-17-9-5-10-18-25)26-19-11-6-12-20-26;/h4-12,15-20H,13-14,21-22H2,1-3H3;1H/q+1;/p-1
  • InChiKey: ILCRIYBFEOAUEZ-UHFFFAOYSA-M  

Network

Hover on a compound node to display the structore

Synonyms

  • triphenyl-[(2,6,6-trimethylcyclohexen-1-yl)methyl]phosphonium bromide
  • triphenyl-[(2,6,6-trimethyl-1-cyclohexenyl)methyl]phosphonium bromide
  • triphenyl-[(2,6,6-trimethyl-1-cyclohexenyl)methyl]phosphanium bromide

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
Onchocerca volvulus 0.0051 0.0371 0.9112
Loa Loa (eye worm) hypothetical protein 0.0077 0.0947 0.5172
Trypanosoma cruzi Peptide deformylase 2, putative 0.019 0.337 0.5
Echinococcus granulosus endothelin converting enzyme 1 0.0102 0.1484 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0102 0.1484 1
Trypanosoma brucei Polypeptide deformylase 1 0.019 0.337 0.5
Loa Loa (eye worm) hypothetical protein 0.0076 0.0908 0.4828
Loa Loa (eye worm) hypothetical protein 0.0102 0.1484 1
Loa Loa (eye worm) hypothetical protein 0.0077 0.0947 0.5172
Plasmodium falciparum peptide deformylase 0.0497 1 0.5
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0497 1 0.5
Brugia malayi Matrixin family protein 0.0057 0.0509 0.343
Loa Loa (eye worm) hypothetical protein 0.0076 0.0908 0.4828
Loa Loa (eye worm) hypothetical protein 0.0077 0.0947 0.5172
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0102 0.1484 1
Loa Loa (eye worm) hypothetical protein 0.0076 0.0908 0.4828
Loa Loa (eye worm) matrixin family protein 0.0052 0.0407 0.0325
Onchocerca volvulus Matrilysin homolog 0.0052 0.0407 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0052 0.0391 0.2636
Leishmania major polypeptide deformylase-like protein, putative 0.019 0.337 0.5
Loa Loa (eye worm) hypothetical protein 0.0077 0.0947 0.5172
Loa Loa (eye worm) hypothetical protein 0.0102 0.1484 1
Loa Loa (eye worm) hypothetical protein 0.0102 0.1484 1
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0497 1 1
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0052 0.0391 0.2636
Loa Loa (eye worm) hypothetical protein 0.0077 0.0947 0.5172
Trypanosoma cruzi Peptide deformylase 2, putative 0.019 0.337 0.5
Brugia malayi Peptidase family M13 containing protein 0.0102 0.1484 1
Echinococcus multilocularis endothelin converting enzyme 1 0.0102 0.1484 1
Toxoplasma gondii hypothetical protein 0.0497 1 1
Loa Loa (eye worm) peptidase family M13 containing protein 0.0076 0.0908 0.4828
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.019 0.337 0.5
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0052 0.0391 0.2636
Plasmodium vivax peptide deformylase, putative 0.0497 1 0.5
Loa Loa (eye worm) peptidase family M13 containing protein 0.0076 0.0908 0.4828
Loa Loa (eye worm) hypothetical protein 0.0076 0.0908 0.4828
Loa Loa (eye worm) hypothetical protein 0.0077 0.0947 0.5172
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0052 0.0391 0.2636
Treponema pallidum polypeptide deformylase (def) 0.0497 1 0.5
Onchocerca volvulus Matrix metalloproteinase homolog 0.0052 0.0407 1
Loa Loa (eye worm) matrixin family protein 0.0057 0.0509 0.124
Trypanosoma brucei Peptide deformylase 2 0.019 0.337 0.5
Schistosoma mansoni neprilysin-2 (M13 family) 0.0052 0.0391 0.2636
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0497 1 1
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.019 0.337 0.5
Mycobacterium ulcerans peptide deformylase 0.0497 1 1

Activities

Activity type Activity value Assay description Source Reference
Inhibition (functional) = 96 % Inhibition of tumor promoter (TPA) -induced mouse epidermal ornithine decarboxylase (ODC) activity at 17 nmol dose level ChEMBL. 7241516
Inhibition (functional) = 96 % Inhibition of tumor promoter (TPA) -induced mouse epidermal ornithine decarboxylase (ODC) activity at 17 nmol dose level ChEMBL. 7241516

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.