Detailed information for compound 727516

Basic information

Technical information
  • TDR Targets ID: 727516
  • Name: 2-bromo-6-methoxy-4-[[4-[3-(trifluoromethyl)p henyl]piperazin-1-yl]methyl]phenol
  • MW: 445.274 | Formula: C19H20BrF3N2O2
  • H donors: 1 H acceptors: 1 LogP: 4.54 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(CN2CCN(CC2)c2cccc(c2)C(F)(F)F)cc(c1O)Br
  • InChi: 1S/C19H20BrF3N2O2/c1-27-17-10-13(9-16(20)18(17)26)12-24-5-7-25(8-6-24)15-4-2-3-14(11-15)19(21,22)23/h2-4,9-11,26H,5-8,12H2,1H3
  • InChiKey: NFGSHERZKQRMJK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-bromo-6-methoxy-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]methyl]phenol
  • 2-Bromo-6-methoxy-4-[4-(3-trifluoromethyl-phenyl)-piperazin-1-ylmethyl]-phenol
  • BAS 00638093

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 glucosamine-6-phosphate isomerase, putative 0.045 0.6579 0.8076
Brugia malayi Hexokinase family protein 0.0656 1 1
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0188 0.2239 0.2239
Leishmania major hypothetical protein, conserved 0.0423 0.6145 0.6145
Plasmodium falciparum hexokinase 0.0656 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0188 0.2239 0.2749
Echinococcus granulosus caspase 3 0.0145 0.1531 0.1531
Trypanosoma brucei hexokinase 0.0656 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0188 0.2239 0.2239
Trypanosoma cruzi hypothetical protein, conserved 0.0423 0.6145 0.6145
Trypanosoma brucei hexokinase 0.0656 1 1
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0433 0.6305 0.6305
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0188 0.2239 0.2239
Trichomonas vaginalis CAMK family protein kinase 0.0188 0.2239 0.2749
Schistosoma mansoni caspase-7 (C14 family) 0.0198 0.2411 0.2411
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0433 0.6305 0.6305
Brugia malayi Hexokinase family protein 0.0411 0.5946 0.5946
Trypanosoma cruzi hexokinase, putative 0.0656 1 1
Loa Loa (eye worm) hypothetical protein 0.0447 0.6541 0.6541
Echinococcus granulosus caspase 0.0198 0.2411 0.2411
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0188 0.2239 0.2239
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0433 0.6305 0.6305
Brugia malayi MH2 domain containing protein 0.0238 0.3063 0.3063
Leishmania major hexokinase, putative 0.0656 1 1
Loa Loa (eye worm) hexokinase 0.0656 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0664 0.0815
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0433 0.6305 0.6305
Loa Loa (eye worm) hexokinase type II 0.0656 1 1
Echinococcus multilocularis caspase 3 0.0145 0.1531 0.1531
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.045 0.6579 1
Onchocerca volvulus Hexokinase homolog 0.0411 0.5946 0.5946
Echinococcus multilocularis hexokinase 0.0656 1 1
Echinococcus multilocularis hexokinase 0.0656 1 1
Schistosoma mansoni kinase 0.0096 0.0705 0.0705
Entamoeba histolytica hexokinase 2 0.0656 1 1
Echinococcus multilocularis hexokinase type 2 0.0656 1 1
Echinococcus multilocularis hexokinase 0.0656 1 1
Echinococcus granulosus hexokinase 0.0656 1 1
Entamoeba histolytica hexokinase 1 0.0656 1 1
Onchocerca volvulus 0.0411 0.5946 0.5946
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0198 0.2411 0.2411
Onchocerca volvulus 0.0656 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0188 0.2239 0.2749
Loa Loa (eye worm) MH2 domain-containing protein 0.0238 0.3063 0.3063
Onchocerca volvulus 0.0656 1 1
Loa Loa (eye worm) glutaminase 2 0.0544 0.8147 0.8147
Echinococcus granulosus hexokinase 0.0656 1 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.2579 0.2579
Trichomonas vaginalis CAMK family protein kinase 0.0188 0.2239 0.2749
Schistosoma mansoni serine/threonine protein kinase 0.0188 0.2239 0.2239
Trypanosoma brucei hypothetical protein, conserved 0.0423 0.6145 0.6145
Brugia malayi glucose-6-phosphate dehydrogenase 0.0433 0.6305 0.6305
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.015 0.1613 0.5
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.045 0.6579 0.6579
Loa Loa (eye worm) hexokinase 0.0411 0.5946 0.5946
Brugia malayi hexokinase type II 0.0208 0.2579 0.2579
Mycobacterium ulcerans glutaminase 0.0544 0.8147 1
Onchocerca volvulus 0.0656 1 1
Brugia malayi Hexokinase family protein 0.0203 0.2487 0.2487
Trypanosoma cruzi hypothetical protein, conserved 0.0423 0.6145 0.6145
Brugia malayi glutaminase DH11.1 0.0544 0.8147 0.8147
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.045 0.6579 0.8076
Trichomonas vaginalis glutaminase, putative 0.0544 0.8147 1
Echinococcus granulosus hexokinase type 2 0.0656 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0188 0.2239 0.2749
Trichomonas vaginalis CAMK family protein kinase 0.0188 0.2239 0.2749
Trypanosoma brucei hexokinase, putative 0.0656 1 1
Treponema pallidum hexokinase (hxk) 0.0656 1 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0283 0.3813 0.3813
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.045 0.6579 0.6579
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0433 0.6305 0.6305
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0433 0.6305 0.5
Schistosoma mansoni hexokinase 0.0656 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0188 0.2239 0.2749
Toxoplasma gondii hexokinase 0.0656 1 1
Loa Loa (eye worm) hexokinase 0.0656 1 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0188 0.2239 0.2239
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0188 0.2239 0.2239
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0198 0.2411 0.2411
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.045 0.6579 0.6579
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0433 0.6305 0.575
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.045 0.6579 0.8076
Echinococcus granulosus hexokinase 0.0656 1 1
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0433 0.6305 0.6305
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0139 0.1432 0.1432
Echinococcus multilocularis caspase 0.0198 0.2411 0.2411
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0143 0.1501 0.1501
Loa Loa (eye worm) transcription factor SMAD2 0.0238 0.3063 0.3063
Loa Loa (eye worm) hexokinase 0.0203 0.2487 0.2487
Schistosoma mansoni caspase-3 (C14 family) 0.0198 0.2411 0.2411
Trypanosoma cruzi polo-like protein kinase, putative 0.0188 0.2239 0.2239
Leishmania major hexokinase, putative 0.0656 1 1
Loa Loa (eye worm) glutaminase 0.0544 0.8147 0.8147
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0664 0.0815
Onchocerca volvulus Serine\/threonine kinase homolog 0.0188 0.2239 0.2239
Trypanosoma brucei polo-like protein kinase 0.0188 0.2239 0.2239
Plasmodium vivax hexokinase, putative 0.0656 1 1
Loa Loa (eye worm) hypothetical protein 0.0208 0.2579 0.2579
Trypanosoma cruzi hexokinase, putative 0.0656 1 1
Schistosoma mansoni glutaminase 0.0544 0.8147 0.8147
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0433 0.6305 0.6305

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.

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