Detailed information for compound 1457373

Basic information

Technical information
  • TDR Targets ID: 1457373
  • Name: 6-methyl-N-[1-[5-(trifluoromethyl)pyridin-2-y l]piperidin-3-yl]pyridine-3-carboxamide
  • MW: 364.365 | Formula: C18H19F3N4O
  • H donors: 1 H acceptors: 3 LogP: 3.05 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1ccc(cn1)C(=O)NC1CCCN(C1)c1ccc(cn1)C(F)(F)F
  • InChi: 1S/C18H19F3N4O/c1-12-4-5-13(9-22-12)17(26)24-15-3-2-8-25(11-15)16-7-6-14(10-23-16)18(19,20)21/h4-7,9-10,15H,2-3,8,11H2,1H3,(H,24,26)
  • InChiKey: DAFHUHGOZREBCK-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridyl]-3-piperidyl]pyridine-3-carboxamide
  • 6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridyl]-3-piperidinyl]-3-pyridinecarboxamide
  • 6-methyl-N-[1-[5-(trifluoromethyl)-2-pyridyl]-3-piperidyl]nicotinamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
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
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.001 0.0043 0.0048
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.002 0.4102
Brugia malayi mothers against decapentaplegic homolog 3 0.0015 0.01 0.0097
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0033 0.0036
Schistosoma mansoni z-protein (S1r protein) 0.0009 0.0033 0.004
Echinococcus multilocularis mothers against decapentaplegic 6 0.0015 0.01 0.0117
Echinococcus granulosus mothers against decapentaplegic 5 0.0033 0.031 0.0373
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.001 0.0043 0.0039
Schistosoma mansoni fyve finger-containing phosphoinositide kinase fyv1 0.0009 0.0033 0.004
Echinococcus granulosus cpg binding protein 0.0037 0.0348 0.0418
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.002 0.4102
Brugia malayi MH1 domain containing protein 0.0033 0.031 0.0307
Loa Loa (eye worm) hypothetical protein 0.0009 0.0033 0.003
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.001 0.0043 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0081 0.0857 0.1038
Echinococcus granulosus smad 0.0033 0.031 0.0373
Brugia malayi MH1 domain containing protein 0.0018 0.014 0.0137
Echinococcus multilocularis GPCR, family 2 0.028 0.3116 0.3785
Echinococcus granulosus Pleckstrin G protein interacting region 0.0009 0.0033 0.0036
Schistosoma mansoni Smad4 0.0015 0.01 0.0122
Schistosoma mansoni smad1 5 8 and 0.0033 0.031 0.0377
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0081 0.0857 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.002 0.4102
Toxoplasma gondii isocitrate dehydrogenase 0.0081 0.0857 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0033 0.031 0.0307
Schistosoma mansoni Smad4 0.0033 0.031 0.0377
Onchocerca volvulus Mothers against decapentaplegic homolog 0.0015 0.01 0.0478
Schistosoma mansoni cpg binding protein 0.0035 0.0325 0.0395
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0081 0.0857 0.1038
Echinococcus granulosus mothers against decapentaplegic 6 0.0015 0.01 0.0117
Schistosoma mansoni cpg binding protein 0.0037 0.0348 0.0422
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0081 0.0857 1
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0081 0.0857 1
Brugia malayi RNA binding protein 0.0729 0.8228 0.8228
Schistosoma mansoni tar DNA-binding protein 0.0729 0.8228 1
Schistosoma mansoni smad 0.0033 0.031 0.0377
Echinococcus multilocularis tar DNA binding protein 0.0729 0.8228 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.014 0.0137
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.028 0.3116 0.3785
Brugia malayi hypothetical protein 0.0009 0.0033 0.003
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.0028 0.003
Mycobacterium leprae PROBABLE 3-ISOPROPYLMALATE DEHYDROGENASE LEUB (BETA-IPM DEHYDROGENASE) (IMDH) (3-IPM-DH) 0.001 0.0043 0.5
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0081 0.0857 0.1038
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.002 0.4102
Loa Loa (eye worm) hypothetical protein 0.0009 0.0033 0.003
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0033 0.0036
Schistosoma mansoni hypothetical protein 0.028 0.3116 0.3787
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.028 0.3116 0.3785
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0081 0.0857 0.1038
Schistosoma mansoni dishevelled 0.0009 0.0033 0.004
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.001 0.0043 0.5
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0081 0.0857 0.5
Brugia malayi MH2 domain containing protein 0.0033 0.031 0.0307
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.001 0.0043 0.0039
Brugia malayi MH2 domain containing protein 0.049 0.5509 0.5507
Loa Loa (eye worm) MH1 domain-containing protein 0.0015 0.01 0.0097
Loa Loa (eye worm) DIX domain-containing protein 0.0009 0.0033 0.003
Schistosoma mansoni tar DNA-binding protein 0.0729 0.8228 1
Schistosoma mansoni dishevelled 0.0009 0.0033 0.004
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0768 0.0933
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0184 0.2022 1
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0033 0.031 0.0377
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.002 0.4102
Echinococcus granulosus tar DNA binding protein 0.0729 0.8228 1
Echinococcus multilocularis smad 0.0033 0.031 0.0373
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0081 0.0857 1
Brugia malayi TAR-binding protein 0.0729 0.8228 0.8228
Loa Loa (eye worm) transcription factor SMAD2 0.049 0.5509 0.5507
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0081 0.0857 0.5
Loa Loa (eye worm) hypothetical protein 0.0884 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0028 0.003
Brugia malayi Isocitrate dehydrogenase 0.0081 0.0857 0.0854
Schistosoma mansoni smad1 5 8 and 0.0033 0.031 0.0377
Brugia malayi regulator of G-protein signaling egl-10 0.0009 0.0033 0.003
Brugia malayi CXXC zinc finger family protein 0.0035 0.0325 0.0322
Schistosoma mansoni dep domain containing protein 0.0009 0.0033 0.004
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0081 0.0857 0.5
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0033 0.0036
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0004 0.0004
Loa Loa (eye worm) RNA binding protein 0.0729 0.8228 0.8228
Echinococcus granulosus mothers against decapentaplegic 2 0.0015 0.01 0.0117
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.002 0.4102
Onchocerca volvulus Segment polarity protein dishevelled homolog 0.0009 0.0033 0.0146
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.002 0.4102
Loa Loa (eye worm) hypothetical protein 0.0605 0.6814 0.6813
Brugia malayi MH2 domain containing protein 0.0033 0.031 0.0307
Echinococcus multilocularis mothers against decapentaplegic 5 0.0033 0.031 0.0373
Echinococcus multilocularis mothers against decapentaplegic 2 0.0015 0.01 0.0117
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.001 0.0043 0.0048
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.002 0.4102
Brugia malayi N-terminal motif family protein 0.0184 0.2022 0.2019
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0009 0.0033 0.003
Mycobacterium ulcerans 3-isopropylmalate dehydrogenase 0.001 0.0043 0.5
Loa Loa (eye worm) hypothetical protein 0.028 0.3116 0.3114
Loa Loa (eye worm) MH2 domain-containing protein 0.049 0.5509 0.5507
Schistosoma mansoni guanine-nucleotide-exchange-factor 0.0006 0.0004 0.0004
Echinococcus multilocularis isocitrate dehydrogenase 0.0081 0.0857 0.1038
Schistosoma mansoni smad 0.0015 0.01 0.0122
Loa Loa (eye worm) hypothetical protein 0.001 0.0043 0.0039
Echinococcus multilocularis Pleckstrin G protein, interacting region 0.0009 0.0033 0.0036
Onchocerca volvulus 0.0009 0.0033 0.0146
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0052 0.0059
Schistosoma mansoni unc-13 (munc13) 0.001 0.0043 0.0052
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.001 0.0043 0.0039
Brugia malayi Calcitonin receptor-like protein seb-1 0.0884 1 1
Schistosoma mansoni hypothetical protein 0.0605 0.6814 0.8281
Loa Loa (eye worm) hypothetical protein 0.0184 0.2022 0.2019
Schistosoma mansoni smad1 5 8 and 0.0033 0.031 0.0377
Loa Loa (eye worm) MH1 domain-containing protein 0.0033 0.031 0.0307
Trichomonas vaginalis helicase, putative 0.0008 0.002 0.4102
Loa Loa (eye worm) MH2 domain-containing protein 0.0015 0.01 0.0097
Loa Loa (eye worm) latrophilin receptor protein 2 0.028 0.3116 0.3114
Schistosoma mansoni ras GTP exchange factor 0.0006 0.0004 0.0004
Entamoeba histolytica tartrate dehydrogenase, putative 0.001 0.0043 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.002 0.4102
Schistosoma mansoni hypothetical protein 0.028 0.3116 0.3787
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0052 0.0059
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0033 0.0036
Brugia malayi Probable isocitrate dehydrogenase 0.001 0.0043 0.0039
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.002 0.4102
Echinococcus multilocularis segment polarity protein dishevelled 0.0009 0.0033 0.0036
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.0028 0.003
Echinococcus multilocularis regulator of G protein signaling 7 0.0009 0.0033 0.0036
Echinococcus multilocularis cpg binding protein 0.0037 0.0348 0.0418
Loa Loa (eye worm) Smad1 0.0033 0.031 0.0307
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0678 0.7828
Schistosoma mansoni tar DNA-binding protein 0.0729 0.8228 1
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0081 0.0857 0.1042
Brugia malayi Latrophilin receptor protein 2 0.028 0.3116 0.3114
Brugia malayi DIX domain containing protein 0.0009 0.0033 0.003
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.001 0.0043 0.0039
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.028 0.3116 0.3114
Brugia malayi latrophilin 2 splice variant baaae 0.0605 0.6814 0.6813
Brugia malayi RNA recognition motif domain containing protein 0.0729 0.8228 0.8228
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0052 0.0049
Brugia malayi Smad1 0.0033 0.031 0.0307
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0081 0.0857 0.1038
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.001 0.0043 0.0052
Echinococcus granulosus Smad4 0.0033 0.031 0.0373
Brugia malayi MH1 domain containing protein 0.0033 0.031 0.0307
Schistosoma mansoni cpg binding protein 0.0037 0.0348 0.0422
Schistosoma mansoni hypothetical protein 0.028 0.3116 0.3787
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.001 0.0043 0.0048
Schistosoma mansoni regulator of G protein signaling 0.0009 0.0033 0.004
Schistosoma mansoni isocitrate dehydrogenase 0.001 0.0043 0.0052
Brugia malayi Probable isocitrate dehydrogenase 0.001 0.0043 0.0039
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0004 0.0004
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0081 0.0857 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0028 0.0034
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.002 0.4102
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.002 0.4102
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.002 0.4102
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0729 0.8228 0.8228
Toxoplasma gondii isocitrate dehydrogenase 0.0081 0.0857 1
Schistosoma mansoni Smad4 0.0015 0.01 0.0122
Brugia malayi MH1 domain containing protein 0.0018 0.014 0.0137
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.002 0.4102
Loa Loa (eye worm) hypothetical protein 0.0009 0.0033 0.003
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0325 0.0322
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.002 0.4102
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.002 0.4102
Echinococcus granulosus isocitrate dehydrogenase NAD 0.001 0.0043 0.0048
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0884 1 1
Onchocerca volvulus 0.0035 0.0325 0.1593
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.028 0.3116 0.3785
Brugia malayi hypothetical protein 0.0009 0.0033 0.003
Schistosoma mansoni hypothetical protein 0.028 0.3116 0.3787
Echinococcus granulosus TGF beta signal transducer SmadC 0.0033 0.031 0.0373
Echinococcus granulosus regulator of G protein signaling 7 0.0009 0.0033 0.0036
Brugia malayi MH2 domain containing protein 0.0015 0.01 0.0097
Schistosoma mansoni tar DNA-binding protein 0.0729 0.8228 1
Echinococcus granulosus GPCR family 2 0.028 0.3116 0.3785
Loa Loa (eye worm) TAR-binding protein 0.0729 0.8228 0.8228
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0033 0.003
Schistosoma mansoni ras GTP exchange factor son of sevenless 0.0006 0.0004 0.0004
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0028 0.003
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0033 0.031 0.0373
Schistosoma mansoni tar DNA-binding protein 0.0729 0.8228 1
Echinococcus multilocularis Smad4 0.0033 0.031 0.0373
Brugia malayi isocitrate dehydrogenase 0.0081 0.0857 0.0854
Loa Loa (eye worm) isocitrate dehydrogenase 0.0081 0.0857 0.0854
Loa Loa (eye worm) nuclear factor I 0.0018 0.014 0.0137
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0051 0.0047
Loa Loa (eye worm) hypothetical protein 0.0015 0.01 0.0097
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.002 0.4102
Brugia malayi Domain found in Dishevelled, Egl-10, and Pleckstrin family protein 0.0009 0.0033 0.003
Echinococcus granulosus segment polarity protein dishevelled 0.0009 0.0033 0.0036
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.028 0.3116 0.3785

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 260 uM PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493224] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) 22.3872 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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