Detailed information for compound 1484868

Basic information

Technical information
  • TDR Targets ID: 1484868
  • Name: 1-[[4-(trifluoromethyl)phenyl]methyl]piperazi ne hydrochloride
  • MW: 280.717 | Formula: C12H16ClF3N2
  • H donors: 1 H acceptors: 0 LogP: 2.79 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: FC(c1ccc(cc1)CN1CCNCC1)(F)F.Cl
  • InChi: 1S/C12H15F3N2.ClH/c13-12(14,15)11-3-1-10(2-4-11)9-17-7-5-16-6-8-17;/h1-4,16H,5-9H2;1H
  • InChiKey: XTIVWOUMJNFNSY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-[4-(trifluoromethyl)benzyl]piperazine hydrochloride
  • MLS000770938
  • SMR000375962

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni amine oxidase 0.0122 0.1324 0.1445
Echinococcus granulosus lysine specific histone demethylase 1A 0.0122 0.1324 0.1422
Leishmania major UDP-galactopyranose mutase 0.0122 0.1324 0.5
Echinococcus multilocularis lysine specific histone demethylase 1A 0.0599 0.9167 1
Plasmodium falciparum protoporphyrinogen oxidase 0.0122 0.1324 0.5
Mycobacterium tuberculosis Possible oxidoreductase 0.0122 0.1324 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.0315 0.0315
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0829 0.0904
Brugia malayi hypothetical protein 0.0122 0.1324 0.1324
Entamoeba histolytica SWIRM domain protein 0.0051 0.0157 0.5
Brugia malayi jmjC domain containing protein 0.0043 0.0024 0.0024
Loa Loa (eye worm) hypothetical protein 0.0173 0.2157 0.2157
Trypanosoma cruzi UDP-galactopyranose mutase 0.0122 0.1324 0.5
Loa Loa (eye worm) hypothetical protein 0.0122 0.1324 0.1324
Brugia malayi jmjC domain containing protein 0.0115 0.1218 0.1218
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0024 0.0026
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0157 0.5
Chlamydia trachomatis protoporphyrinogen oxidase 0.0122 0.1324 0.5
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1218 0.1306
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0231 0.0227
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0122 0.1324 0.5
Entamoeba histolytica hypothetical protein 0.0051 0.0157 0.5
Toxoplasma gondii histone lysine-specific demethylase 0.0122 0.1324 1
Mycobacterium leprae PROBABLE PROTOPORPHYRINOGEN OXIDASE HEMY (PROTOPORPHYRINOGEN-IX OXIDASE) (PROTOPORPHYRINOGENASE) (PPO) 0.0122 0.1324 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0231 0.0227
Trypanosoma cruzi UDP-galactopyranose mutase 0.0122 0.1324 0.5
Toxoplasma gondii histone lysine-specific demethylase LSD1/BHC110/KDMA1A 0.0122 0.1324 1
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0122 0.1324 0.5
Plasmodium vivax hypothetical protein, conserved 0.0122 0.1324 0.5
Plasmodium vivax lysine-specific histone demethylase 1, putative 0.0122 0.1324 0.5
Mycobacterium ulcerans flavin-containing monoamine oxidase AofH 0.0122 0.1324 0.5
Brugia malayi SWIRM domain containing protein 0.0051 0.0157 0.0157
Echinococcus multilocularis 0.0122 0.1324 0.1422
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0024 0.0026
Echinococcus multilocularis SWI:SNF complex subunit SMARCC2 0.0051 0.0157 0.0145
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0313 0.0313
Schistosoma mansoni Lysine-specific histone demethylase 1 0.0599 0.9167 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0313 0.0313
Plasmodium vivax protoporphyrinogen oxidase, putative 0.0122 0.1324 0.5
Plasmodium falciparum lysine-specific histone demethylase 1, putative 0.0122 0.1324 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0231 0.0252
Onchocerca volvulus 0.065 1 0.5
Giardia lamblia hypothetical protein 0.0051 0.0157 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0231 0.0252
Trichomonas vaginalis conserved hypothetical protein 0.0051 0.0157 0.5
Schistosoma mansoni Protoporphyrinogen oxidase chloroplast/mitochondrial precursor 0.0122 0.1324 0.1445
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0129 0.0115
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0129 0.0115
Mycobacterium ulcerans oxidoreductase 0.0122 0.1324 0.5
Mycobacterium ulcerans monoamine oxidase 0.0122 0.1324 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0231 0.0227
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0313 0.0313
Loa Loa (eye worm) hypothetical protein 0.065 1 1
Loa Loa (eye worm) hypothetical protein 0.0599 0.9167 0.9167
Entamoeba histolytica SWIRM domain protein 0.0051 0.0157 0.5
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0024 0.0024
Schistosoma mansoni SWI/SNF complex-related 0.0051 0.0157 0.0171
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0231 0.0231
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0313 0.0313
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0231 0.0227
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0231 0.0252
Mycobacterium tuberculosis Conserved hypothetical protein 0.0122 0.1324 0.5
Echinococcus multilocularis protoporphyrinogen oxidase 0.0122 0.1324 0.1422
Loa Loa (eye worm) hypothetical protein 0.0599 0.9167 0.9167
Loa Loa (eye worm) hypothetical protein 0.0051 0.0157 0.0157
Echinococcus granulosus lysine specific histone demethylase 1A 0.0599 0.9167 1
Mycobacterium ulcerans protoporphyrinogen oxidase 0.0122 0.1324 0.5
Loa Loa (eye worm) hypothetical protein 0.0122 0.1324 0.1324
Echinococcus granulosus SWI:SNF complex subunit SMARCC2 0.0051 0.0157 0.0145
Brugia malayi amine oxidase, flavin-containing family protein 0.0173 0.2157 0.2157
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0518 0.0518
Schistosoma mansoni amine oxidase 0.0122 0.1324 0.1445
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1218 0.1306
Mycobacterium ulcerans dehydrogenase 0.0122 0.1324 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0231 0.0231
Plasmodium vivax hypothetical protein, conserved 0.0122 0.1324 0.5

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 70.7946 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference

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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