Detailed information for compound 1309362

Basic information

Technical information
  • TDR Targets ID: 1309362
  • Name: N-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]pipe razin-1-yl]pyridin-3-yl]acetamide
  • MW: 365.353 | Formula: C17H18F3N5O
  • H donors: 1 H acceptors: 3 LogP: 2.23 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(nc1)N1CCN(CC1)c1ccc(cn1)C(F)(F)F
  • InChi: 1S/C17H18F3N5O/c1-12(26)23-14-3-5-16(22-11-14)25-8-6-24(7-9-25)15-4-2-13(10-21-15)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H,23,26)
  • InChiKey: RTUKBQISLQNNNR-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[6-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-3-pyridyl]acetamide
  • N-[6-[4-[5-(trifluoromethyl)-2-pyridyl]-1-piperazinyl]-3-pyridyl]acetamide
  • N-[6-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]pyridin-3-yl]ethanamide
  • IDI1_018128
  • Maybridge3_006741
  • MLS000862026
  • N-(6-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazino}pyridin-3-yl)acetamide
  • SMR000461108
  • SR-01000643300-1

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4E Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
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) hypothetical protein 0.0034 0.0019 0.107
Trichomonas vaginalis esterase, putative 0.0072 0.005 0.23
Echinococcus multilocularis metabotropic glutamate receptor 5 0.0051 0.0032 0.043
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0004 0.0235
Echinococcus granulosus geminin 0.0174 0.0132 0.1938
Echinococcus multilocularis lysine specific demethylase 5A 0.0071 0.0049 0.0676
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0065 0.0927
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.0663 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.0034 0.1947
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0032 0.1789
Brugia malayi metabotropic glutamate receptor type 2 0.002 0.0008 0.0437
Brugia malayi hypothetical protein 0.0043 0.0026 0.1501
Brugia malayi jmjC domain containing protein 0.0071 0.0049 0.276
Loa Loa (eye worm) beta-lactamase 0.0072 0.005 0.2806
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0065 0.0927
Schistosoma mansoni hypothetical protein 0.0034 0.0019 0.0224
Loa Loa (eye worm) hypothetical protein 0.0072 0.005 0.2806
Onchocerca volvulus Huntingtin homolog 0.0121 0.0089 1
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0019 0.0007 0.0039
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0049 0.0676
Mycobacterium ulcerans TetR family transcriptional regulator 1.2417 1 1
Brugia malayi jmjC domain containing protein 0.0019 0.0007 0.0381
Echinococcus multilocularis geminin 0.0174 0.0132 0.1937
Echinococcus granulosus expressed conserved protein 0.0095 0.0068 0.097
Loa Loa (eye worm) hypothetical protein 0.0072 0.005 0.2806
Loa Loa (eye worm) jmjC domain-containing protein 0.0071 0.0049 0.276
Leishmania major hypothetical protein, conserved 0.0072 0.005 1
Schistosoma mansoni jumonji domain containing protein 0.0071 0.0049 0.0676
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0071 0.0049 0.0676
Toxoplasma gondii ABC1 family protein 0.0072 0.005 1
Schistosoma mansoni hypothetical protein 0.0043 0.0026 0.0339
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0381
Schistosoma mansoni metabotropic glutamate receptor 0.002 0.0008 0.0054
Echinococcus multilocularis metabotropic glutamate receptor 2 0.0035 0.0019 0.0231
Echinococcus granulosus sterol regulatory element binding protein 0.0043 0.0026 0.0339
Brugia malayi jmjC domain containing protein 0.0019 0.0007 0.0381
Schistosoma mansoni hypothetical protein 0.0174 0.0132 0.1938
Echinococcus granulosus phd:f box containing protein 0.0019 0.0007 0.0039
Loa Loa (eye worm) hypothetical protein 0.0072 0.005 0.2806
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0026 0.0339
Echinococcus granulosus metabotropic glutamate receptor 2 0.0035 0.0019 0.0231
Trichomonas vaginalis conserved hypothetical protein 0.0168 0.0127 1
Schistosoma mansoni hypothetical protein 0.0042 0.0025 0.032
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.005 0.23
Echinococcus granulosus beta LACTamase domain containing family member 0.0072 0.005 0.0688
Mycobacterium ulcerans AcrR family transcriptional regulator 1.2417 1 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.0073 0.414
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0007 0.0381
Brugia malayi beta-lactamase family protein 0.0072 0.005 0.2806
Schistosoma mansoni hypothetical protein 0.0174 0.0132 0.1938
Echinococcus multilocularis expressed conserved protein 0.0095 0.0068 0.097
Loa Loa (eye worm) hypothetical protein 0.0072 0.005 0.2806
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0834 0.0663 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0071 0.0049 0.0676
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0019 0.107
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0032 0.1789
Loa Loa (eye worm) hypothetical protein 0.0043 0.0026 0.15
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0101 0.0073 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0103 0.0074 0.1065
Brugia malayi beta-lactamase 0.0072 0.005 0.2806
Echinococcus multilocularis jumonji domain containing 1A 0.0019 0.0007 0.0039
Echinococcus multilocularis sterol regulatory element binding protein 0.0043 0.0026 0.0339
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0026 0.0339
Echinococcus multilocularis beta LACTamase domain containing family member 0.0072 0.005 0.0688
Brugia malayi CHE-14 protein 0.0043 0.0026 0.15
Plasmodium vivax hypothetical protein, conserved 0.0072 0.005 1
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0229 0.0176 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0101 0.0073 0.414
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0065 0.0927
Schistosoma mansoni jumonji domain containing protein 0.0019 0.0007 0.0039
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.005 0.23
Loa Loa (eye worm) hypothetical protein 0.005 0.0032 0.1789
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0004 0.0235
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0032 0.1789
Brugia malayi Metabotropic glutamate receptor precursor. 0.0041 0.0025 0.1405
Brugia malayi jmjC domain containing protein 0.0019 0.0007 0.0381
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.005 0.23
Schistosoma mansoni phd/f-box containing protein 0.0019 0.0007 0.0039
Schistosoma mansoni metabotropic glutamate receptor 0.0035 0.0019 0.0231
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0381
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0026 0.0339
Brugia malayi hypothetical protein 0.0121 0.0089 0.5061
Schistosoma mansoni phosphatidylserine receptor 0.0019 0.0007 0.0039
Echinococcus multilocularis Niemann Pick C1 protein 0.0101 0.0073 0.1045
Loa Loa (eye worm) glutamate receptor 0.0041 0.0025 0.1405
Mycobacterium ulcerans transcriptional regulator 1.2417 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0072 0.005 0.23
Echinococcus granulosus microtubule associated protein 2 0.0833 0.0663 1
Brugia malayi jmjC domain containing protein 0.0071 0.0049 0.276
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0019 0.0007 0.0039
Plasmodium falciparum JmjC domain-containing protein, putative 0.0019 0.0007 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0007 0.0381
Brugia malayi follicle stimulating hormone receptor 0.0229 0.0176 1
Echinococcus multilocularis phd:f box containing protein 0.0019 0.0007 0.0039
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.005 0.0688
Mycobacterium tuberculosis Transcriptional regulatory repressor protein (TetR-family) EthR 1.2417 1 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0065 0.3696
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0019 0.0007 0.0039
Loa Loa (eye worm) MH2 domain-containing protein 0.0118 0.0087 0.492
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0065 0.3696
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.0663 0.9996
Echinococcus granulosus metabotropic glutamate receptor 5 0.0051 0.0032 0.043
Schistosoma mansoni patched 1 0.0043 0.0026 0.0339
Loa Loa (eye worm) hypothetical protein 0.0121 0.0089 0.5061
Echinococcus granulosus lysine specific demethylase 6a 0.0019 0.0007 0.0039
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.005 1
Schistosoma mansoni hypothetical protein 0.0042 0.0025 0.032
Schistosoma mansoni hypothetical protein 0.0042 0.0025 0.032
Loa Loa (eye worm) hypothetical protein 0.0121 0.0089 0.5061
Echinococcus multilocularis Niemann Pick C1 protein 0.0145 0.0108 0.1576
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0043 0.0026 0.15
Echinococcus multilocularis lysine specific demethylase 6a 0.0019 0.0007 0.0039
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0072 0.005 0.2806
Echinococcus granulosus jumonji domain containing 1A 0.0019 0.0007 0.0039
Loa Loa (eye worm) glutamate receptor 0.0016 0.0005 0.0259
Brugia malayi beta-lactamase family protein 0.0072 0.005 0.2806
Onchocerca volvulus Huntingtin homolog 0.0121 0.0089 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0072 0.005 0.0688
Loa Loa (eye worm) hypothetical protein 0.0016 0.0004 0.0235
Echinococcus multilocularis protein patched 0.0043 0.0026 0.0339
Loa Loa (eye worm) transcription factor SMAD2 0.0118 0.0087 0.492
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0072 0.005 0.2806
Trypanosoma brucei hypothetical protein, conserved 0.0072 0.005 1
Schistosoma mansoni protein phosphatase 2C 0.0019 0.0007 0.0039
Trichomonas vaginalis D-aminoacylase, putative 0.0072 0.005 0.23
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0065 0.0926
Brugia malayi MH2 domain containing protein 0.0118 0.0087 0.492
Brugia malayi Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog 0.0172 0.013 0.7395
Brugia malayi metabotropic glutamate receptor subtype 5a (mGluR5a), putative 0.0037 0.0022 0.1227
Echinococcus granulosus lysine specific demethylase 5A 0.0071 0.0049 0.0676
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0065 0.0927
Schistosoma mansoni hypothetical protein 0.0042 0.0025 0.032
Echinococcus granulosus JmjC domain containing protein 4 0.0019 0.0007 0.0039
Echinococcus granulosus Niemann Pick C1 protein 0.0145 0.0108 0.1577
Echinococcus multilocularis protein dispatched 1 0.005 0.0031 0.0414
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0007 0.0381
Loa Loa (eye worm) jmjC domain-containing protein 0.0019 0.0007 0.0381
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0065 0.0927
Trypanosoma cruzi hypothetical protein, conserved 0.0072 0.005 1
Brugia malayi jmjC domain containing protein 0.0019 0.0007 0.0381
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0071 0.0049 0.0676
Loa Loa (eye worm) hypothetical protein 0.0072 0.005 0.2806
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0004 0.0235
Schistosoma mansoni metabotropic glutamate receptor 2 3 (mglur group 2) 0.0047 0.0029 0.0382
Loa Loa (eye worm) hypothetical protein 0.0072 0.005 0.2806
Loa Loa (eye worm) hypothetical protein 0.0051 0.0032 0.1841
Loa Loa (eye worm) hypothetical protein 0.0172 0.013 0.7395
Mycobacterium tuberculosis Possible penicillin-binding protein 0.046 0.0362 0.0314
Echinococcus granulosus Protein patched homolog 1 0.0043 0.0026 0.0339
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0065 0.0926
Echinococcus multilocularis JmjC domain containing protein 4 0.0019 0.0007 0.0039
Echinococcus granulosus Niemann Pick C1 protein 0.0101 0.0073 0.1045

Activities

Activity type Activity value Assay description Source Reference
Potency (binding) = 4.4668 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) 6.5131 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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