Detailed information for compound 1088789

Basic information

Technical information
  • TDR Targets ID: 1088789
  • Name: 2-methyl-N-[4-(trifluoromethoxy)phenyl]piperi dine-1-carboxamide
  • MW: 302.292 | Formula: C14H17F3N2O2
  • H donors: 1 H acceptors: 1 LogP: 3.57 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CCCCN1C(=O)Nc1ccc(cc1)OC(F)(F)F
  • InChi: 1S/C14H17F3N2O2/c1-10-4-2-3-9-19(10)13(20)18-11-5-7-12(8-6-11)21-14(15,16)17/h5-8,10H,2-4,9H2,1H3,(H,18,20)
  • InChiKey: KXMGDMFVJISKQE-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-N-[4-(trifluoromethoxy)phenyl]-1-piperidinecarboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens epoxide hydrolase 2, cytoplasmic Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium ulcerans epoxide hydrolase EphA Get druggable targets OG5_129061 All targets in OG5_129061
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) Get druggable targets OG5_129061 All targets in OG5_129061
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
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0059 0.0007
Loa Loa (eye worm) RGS-3 protein 0.0019 0.0059 0.0007
Echinococcus multilocularis dihydrofolate reductase 0.049 0.9947 1
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.002 0.0086 0.0034
Loa Loa (eye worm) hypothetical protein 0.0025 0.0183 0.0132
Loa Loa (eye worm) hypothetical protein 0.0019 0.0059 0.0007
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0212 0.4111 0.4082
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.049 0.9947 1
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0298 0.0249
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0053 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0602 0.0556
Schistosoma mansoni kinase 0.0047 0.0649 0.0603
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0092 0.1598 0.1563
Echinococcus granulosus thymidylate synthase 0.0212 0.4111 0.4102
Mycobacterium ulcerans thymidylate synthase 0.0212 0.4111 0.4082
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0059 0.0043
Entamoeba histolytica serine/threonine protein kinase, putative 0.0092 0.1598 1
Echinococcus multilocularis beta adrenergic receptor kinase 0.0019 0.0065 0.0014
Trypanosoma brucei polo-like protein kinase 0.0092 0.1598 0.1555
Brugia malayi hypothetical protein 0.0019 0.0059 0.006
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0059 0.006
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0022 0.0121 0.007
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0052 0.0052
Brugia malayi Dihydrofolate reductase 0.049 0.9947 1
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0065 0.0014
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0059 0.0007
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0602 0.0556
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1598 0.8942
Loa Loa (eye worm) cytochrome P450 family protein 0.003 0.0298 0.0249
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0025 0.0195 0.0144
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0059 0.0043
Echinococcus multilocularis expressed protein 0.0364 0.7298 0.7323
Chlamydia trachomatis dihydrofolate reductase 0.049 0.9947 0.5
Echinococcus granulosus survival motor neuron protein 1 0.023 0.4502 0.4497
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.1598 0.1555
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0059 0.0043
Brugia malayi hypothetical protein 0.0019 0.0059 0.006
Giardia lamblia Kinase, PLK 0.0092 0.1598 1
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0025 0.0195 0.0144
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0492 1 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0653 0.0657
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0101 0.1781 0.1739
Toxoplasma gondii FATC domain-containing protein 0.0025 0.0195 0.0144
Brugia malayi Cytochrome P450 family protein 0.003 0.0298 0.03
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1598 0.8942
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0059 0.0007
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0019 0.0059 0.0007
Brugia malayi A-kinase anchor protein 10, precursor 0.0019 0.0059 0.006
Brugia malayi Cytochrome P450 family protein 0.0064 0.1011 0.1016
Trypanosoma cruzi polo-like protein kinase, putative 0.0092 0.1598 0.1555
Leishmania major cytochrome p450-like protein 0.002 0.0086 0.0034
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0183 0.0131
Brugia malayi PXA domain containing protein 0.0019 0.0059 0.006
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.002 0.0086 0.0034
Trypanosoma cruzi cytochrome P450, putative 0.003 0.0298 0.0248
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0059 0.0007
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0059 0.0007
Toxoplasma gondii cytochrome p450 superfamily protein 0.002 0.0086 0.0034
Loa Loa (eye worm) hypothetical protein 0.0019 0.0059 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0059 0.0043
Entamoeba histolytica hypothetical protein 0.0019 0.0059 0.0048
Trichomonas vaginalis PIKK family atypical protein kinase 0.0025 0.0195 0.083
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0623 0.3304
Schistosoma mansoni cytochrome P450 0.002 0.0086 0.0034
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0059 0.0007
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0092 0.1598 0.1563
Loa Loa (eye worm) thymidylate synthase 0.0212 0.4111 0.4102
Brugia malayi Regulator of G protein signaling domain containing protein 0.0019 0.0059 0.006
Schistosoma mansoni axis inhibition protein axin 0.0019 0.0059 0.0007
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0019 0.0059 0.0007
Schistosoma mansoni dihydrofolate reductase 0.049 0.9947 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0183 0.0131
Schistosoma mansoni z-protein (S1r protein) 0.0019 0.0059 0.0007
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0053 0.0001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0602 0.0556
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1598 0.8942
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0025 0.0195 0.0145
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1598 0.8942
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0602 0.0556
Leishmania major hypothetical protein, conserved 0.0025 0.0183 0.0131
Loa Loa (eye worm) CYP4Cod1 0.003 0.0298 0.0249
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0025 0.0195 0.0196
Echinococcus multilocularis serine protein kinase ATM 0.0025 0.0195 0.0145
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1598 0.8942
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0492 1 1
Echinococcus granulosus dihydrofolate reductase 0.049 0.9947 1
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0019 0.0059 0.0043
Echinococcus granulosus beta-adrenergic receptor kinase 0.0019 0.0065 0.0014
Echinococcus granulosus expressed protein 0.0364 0.7298 0.7323
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0059 0.0043
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0059 0.0007
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0092 0.1598 0.1563
Brugia malayi PXA domain containing protein 0.0019 0.0059 0.006
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0492 1 1
Echinococcus multilocularis regulator of G protein signaling 7 0.0019 0.0059 0.0007
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0602 0.0556
Entamoeba histolytica hypothetical protein 0.0019 0.0059 0.0048
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0602 0.0556
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0065 0.0014
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0059 0.0007
Loa Loa (eye worm) cytochrome P450 family protein 0.0064 0.1011 0.0969
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0183 0.0131
Loa Loa (eye worm) cytochrome P450 0.002 0.0086 0.0034
Brugia malayi Cytochrome P450 family protein 0.003 0.0298 0.03
Echinococcus granulosus cytochrome P450 2K1 0.002 0.0086 0.0034
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.049 0.9947 1
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1598 0.8942
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0059 0.0007
Echinococcus granulosus regulator of G protein signaling 7 0.0019 0.0059 0.0007
Brugia malayi hypothetical protein 0.0101 0.1781 0.1791
Trichomonas vaginalis conserved hypothetical protein 0.0101 0.1781 1
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0492 1 1
Loa Loa (eye worm) hypothetical protein 0.023 0.4502 0.4497
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0019 0.0065 0.0066
Loa Loa (eye worm) hypothetical protein 0.0019 0.0059 0.0007
Loa Loa (eye worm) hypothetical protein 0.0019 0.0059 0.0007
Echinococcus multilocularis regulator of G protein signaling 3 0.0019 0.0059 0.0007
Echinococcus multilocularis thymidylate synthase 0.0212 0.4111 0.4102
Trypanosoma brucei cytochrome P450, putative 0.003 0.0298 0.0248
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0623 0.3304
Leishmania major cytochrome p450-like protein 0.003 0.0298 0.0248
Schistosoma mansoni survival motor neuron protein 0.0047 0.0653 0.0608
Loa Loa (eye worm) hypothetical protein 0.0019 0.0059 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0019 0.0059 0.0043
Entamoeba histolytica hypothetical protein 0.0025 0.0195 0.0929
Leishmania major lanosterol 14-alpha-demethylase, putative 0.002 0.0086 0.0034
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0183 0.0131
Mycobacterium ulcerans epoxide hydrolase EphA 0.0197 0.3809 0.3776
Echinococcus granulosus Regulator of G protein signaling 20 0.0019 0.0059 0.0007
Brugia malayi regulator of G-protein signaling rgs-7 0.0019 0.0059 0.006
Brugia malayi dihydrofolate reductase family protein 0.049 0.9947 1
Onchocerca volvulus 0.0212 0.4111 1
Trypanosoma cruzi cytochrome P450, putative 0.003 0.0298 0.0248
Echinococcus granulosus regulator of G protein signaling 3 0.0019 0.0059 0.0007
Trypanosoma cruzi cytochrome p450-like protein, putative 0.002 0.0086 0.0034
Brugia malayi thymidylate synthase 0.0212 0.4111 0.4133
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0059 0.0007
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0212 0.4111 0.4102
Brugia malayi serine/threonine-protein kinase plk-2 0.0092 0.1598 0.1607
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0092 0.1598 0.1555
Schistosoma mansoni serine/threonine protein kinase 0.0019 0.0065 0.0014
Echinococcus granulosus serine protein kinase ATM 0.0025 0.0195 0.0145
Loa Loa (eye worm) dihydrofolate reductase 0.049 0.9947 1
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.003 0.0298 0.0215
Brugia malayi regulator of G-protein signaling egl-10 0.0019 0.0059 0.006
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.049 0.9947 1
Schistosoma mansoni hypothetical protein 0.002 0.0086 0.0034
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0059 0.0007
Echinococcus multilocularis Regulator of G protein signaling 20 0.0019 0.0059 0.0007
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0019 0.0065 0.0014
Trichomonas vaginalis CAMK family protein kinase 0.0092 0.1598 0.8942
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.002 0.0086 0.0034
Schistosoma mansoni serine/threonine protein kinase 0.0092 0.1598 0.1563
Brugia malayi hypothetical protein 0.023 0.4502 0.4526
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0059 0.0007
Echinococcus multilocularis axis inhibition protein axin 0.0019 0.0059 0.0007
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0492 1 1
Echinococcus multilocularis survival motor neuron protein 1 0.023 0.4502 0.4497
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0052 0.0052
Onchocerca volvulus Serine\/threonine kinase homolog 0.0092 0.1598 0.2733
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0019 0.0065 0.0014
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0019 0.0059 0.0007
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0197 0.3809 0.3776
Brugia malayi Cytochrome P450 family protein 0.002 0.0086 0.0086
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0019 0.0059 0.0007
Schistosoma mansoni regulator of G protein signaling 0.0019 0.0059 0.0007
Leishmania major cytochrome p450-like protein 0.002 0.0086 0.0034
Entamoeba histolytica hypothetical protein 0.0019 0.0059 0.0048
Echinococcus multilocularis 0.002 0.0086 0.0034
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0602 0.0556
Schistosoma mansoni hypothetical protein 0.0047 0.0653 0.0608
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0602 0.0556
Loa Loa (eye worm) PXA domain-containing protein 0.0019 0.0059 0.0007
Echinococcus multilocularis regulator of G protein signaling 0.0019 0.0059 0.0007
Loa Loa (eye worm) hypothetical protein 0.0019 0.0059 0.0007
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0212 0.4111 0.4082
Echinococcus granulosus axis inhibition protein axin 0.0019 0.0059 0.0007
Loa Loa (eye worm) hypothetical protein 0.0022 0.0121 0.007
Brugia malayi hypothetical protein 0.0025 0.0183 0.0184
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0602 0.0606
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0019 0.0059 0.0007
Mycobacterium tuberculosis Hypothetical protein 0.0101 0.1781 0.1719
Brugia malayi cytochrome P450 0.002 0.0086 0.0086

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 29 nM Displacement of rhodamine-labeled probe from human soluble epoxide hydrolase by fluorescence polarization assay ChEMBL. 19969453

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.

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