Detailed information for compound 1259362

Basic information

Technical information
  • TDR Targets ID: 1259362
  • Name: 3-piperidin-1-yl-N-[4-(trifluoromethoxy)pheny l]quinoxaline-2-carboxamide
  • MW: 416.396 | Formula: C21H19F3N4O2
  • H donors: 1 H acceptors: 3 LogP: 4.86 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1nc2ccccc2nc1N1CCCCC1)Nc1ccc(cc1)OC(F)(F)F
  • InChi: 1S/C21H19F3N4O2/c22-21(23,24)30-15-10-8-14(9-11-15)25-20(29)18-19(28-12-4-1-5-13-28)27-17-7-3-2-6-16(17)26-18/h2-3,6-11H,1,4-5,12-13H2,(H,25,29)
  • InChiKey: KAMDUOCZVNJMPM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-(1-piperidyl)-N-[4-(trifluoromethoxy)phenyl]quinoxaline-2-carboxamide
  • 3-(1-piperidyl)-N-[4-(trifluoromethoxy)phenyl]-2-quinoxalinecarboxamide
  • 3-piperidino-N-[4-(trifluoromethoxy)phenyl]quinoxaline-2-carboxamide
  • G934-0920
  • NCGC00137975-01

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0054 0.0145
Echinococcus granulosus zinc finger protein 0.0024 0.0133 0.0079
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.3428 0.3392
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0027 0.0225 0.0171
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0451 0.1206
Plasmodium vivax SET domain protein, putative 0.0036 0.0451 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0072 0.1376 0.1329
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.3428 0.3392
Onchocerca volvulus 0.006 0.1059 0.0947
Echinococcus multilocularis zinc finger protein 0.0024 0.0133 0.0079
Echinococcus granulosus histone lysine methyltransferase setb 0.0057 0.098 0.093
Trypanosoma cruzi ISWI complex protein 0.0018 0 0.5
Schistosoma mansoni zinc finger protein 0.0024 0.0133 0.0354
Echinococcus granulosus fetal alzheimer antigen falz 0.0027 0.0225 0.0171
Schistosoma mansoni hypothetical protein 0.0152 0.3428 0.9163
Echinococcus multilocularis tumor protein p63 0.0408 1 1
Schistosoma mansoni thyroid hormone receptor 0.0164 0.3741 1
Schistosoma mansoni thyroid hormone receptor 0.0164 0.3741 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.5977 1
Loa Loa (eye worm) hypothetical protein 0.006 0.1059 0.1669
Onchocerca volvulus 0.0286 0.6869 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.098 0.2619
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0451 0.5
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0417 0.0365
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.3741 0.3707
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0027 0.0225 0.06
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0451 0.0399
Loa Loa (eye worm) hypothetical protein 0.0057 0.098 0.1535
Trypanosoma brucei ISWI complex protein 0.0018 0 0.5
Brugia malayi Bromodomain containing protein 0.0046 0.0713 0.0731
Trichomonas vaginalis set domain proteins, putative 0.0286 0.6869 0.5
Leishmania major hypothetical protein, conserved 0.0018 0 0.5
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.064 0.0588
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0057 0.098 0.093
Loa Loa (eye worm) hypothetical protein 0.0049 0.0789 0.1211
Schistosoma mansoni bromodomain containing protein 0.0076 0.1487 0.3975
Brugia malayi Pre-SET motif family protein 0.0036 0.0451 0.027
Loa Loa (eye worm) hypothetical protein 0.0046 0.0715 0.1087
Brugia malayi Pre-SET motif family protein 0.0251 0.5977 1
Trypanosoma cruzi ISWI complex protein 0.0018 0 0.5
Schistosoma mansoni cellular tumor antigen P53 0.006 0.1059 0.283
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0165 0.0156
Loa Loa (eye worm) hypothetical protein 0.0052 0.0848 0.1312
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.064 0.0588
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0451 0.1206
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0054 0.0145
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0072 0.1376 0.1329
Loa Loa (eye worm) hypothetical protein 0.0085 0.1718 0.2786
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0057 0.098 0.2619
Schistosoma mansoni hypothetical protein 0.0025 0.0165 0.0442
Brugia malayi Bromodomain containing protein 0.0091 0.1851 0.2734

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0178 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.2202 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) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (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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