Detailed information for compound 1428629

Basic information

Technical information
  • TDR Targets ID: 1428629
  • Name: 3-methyl-N-[(2,4,6-trimethylpyridin-3-yl)carb amoyl]benzamide
  • MW: 297.352 | Formula: C17H19N3O2
  • H donors: 2 H acceptors: 3 LogP: 3.38 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1c(C)cc(nc1C)C)NC(=O)c1cccc(c1)C
  • InChi: 1S/C17H19N3O2/c1-10-6-5-7-14(8-10)16(21)20-17(22)19-15-11(2)9-12(3)18-13(15)4/h5-9H,1-4H3,(H2,19,20,21,22)
  • InChiKey: JVAKZRCTQPKWMX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-methyl-N-[(2,4,6-trimethyl-3-pyridyl)carbamoyl]benzamide
  • 3-methyl-N-[oxo-[(2,4,6-trimethyl-3-pyridyl)amino]methyl]benzamide
  • ZINC01422297
  • MLS000729012
  • SMR000307290
  • Urea, 1-(3-methylbenzoyl)-3-(2,4,6-trimethylpyridin-3-yl)-
  • 3-methyl-N-{[(2,4,6-trimethylpyridin-3-yl)amino]carbonyl}benzamide
  • A3466/0146978

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens breast cancer 1, early onset Starlite/ChEMBL No references
Homo sapiens lamin A/C Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens RAB9A, member RAS oncogene family Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum ras-related protein Rab-5B RAB9A, member RAS oncogene family 201 aa 165 aa 30.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) hypothetical protein 0.0012 0.01 0.0153
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0012 0.01 0.01
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0012 0.01 0.0153
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.01 0.01
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0012 0.01 0.01
Schistosoma mansoni lamin 0.0033 0.6552 0.6552
Echinococcus multilocularis FTZ F1 alpha 0.0012 0.01 0.01
Brugia malayi Nuclear hormone receptor-like 1 0.0012 0.01 0.01
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.01 0.01
Onchocerca volvulus 0.0033 0.6552 1
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 1 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0012 0.01 0.01
Echinococcus multilocularis thyroid hormone receptor alpha 0.0012 0.01 0.01
Schistosoma mansoni nuclear hormone receptor 0.0012 0.01 0.01
Entamoeba histolytica hypothetical protein 0.0043 1 1
Schistosoma mansoni intermediate filament proteins 0.0033 0.6552 0.6552
Loa Loa (eye worm) hypothetical protein 0.0012 0.01 0.0153
Entamoeba histolytica hypothetical protein 0.0043 1 1
Onchocerca volvulus Bile acid receptor homolog 0.0012 0.01 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0012 0.01 0.01
Echinococcus granulosus ecdysone induced protein 78C 0.0012 0.01 0.01
Plasmodium falciparum replication factor C subunit 1, putative 0.0012 0 0.5
Onchocerca volvulus 0.0033 0.6552 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0012 0.01 0.01
Echinococcus granulosus intermediate filament protein 0.0033 0.6552 0.6552
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0 0.5
Schistosoma mansoni thyroid hormone receptor 0.0012 0.01 0.01
Plasmodium vivax replication factor C subunit 1, putative 0.0012 0 0.5
Brugia malayi Steroid receptor seven-up type 2 0.0012 0.01 0.01
Echinococcus multilocularis ecdysone induced protein 78C 0.0012 0.01 0.01
Trypanosoma cruzi FHA domain containing protein, putative 0.0012 0 0.5
Trichomonas vaginalis replication factor C large subunit, putative 0.0012 0 0.5
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0 0.5
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.6552 1
Schistosoma mansoni thyroid hormone receptor 0.0012 0.01 0.01
Loa Loa (eye worm) steroid hormone receptor 0.0012 0.01 0.0153
Schistosoma mansoni retinoic acid receptor RXR 0.0012 0.01 0.01
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0012 0.01 0.0153
Brugia malayi intermediate filament protein 0.0033 0.6552 0.6552
Schistosoma mansoni lamin 0.0033 0.6552 0.6552
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0012 0.01 0.01
Schistosoma mansoni hypothetical protein 0.0043 1 1
Echinococcus multilocularis lamin 0.0033 0.6552 0.6552
Loa Loa (eye worm) hypothetical protein 0.0032 0.6363 0.9712
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0012 0.01 0.0153
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0012 0.01 0.0153
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0012 0.01 0.01
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0012 0 0.5
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0012 0 0.5
Echinococcus granulosus lamin 0.0033 0.6552 0.6552
Onchocerca volvulus 0.0012 0.01 0.0153
Echinococcus granulosus FTZ F1 alpha 0.0012 0.01 0.01
Echinococcus multilocularis lamin dm0 0.0033 0.6552 0.6552
Schistosoma mansoni RAR-like nuclear receptor 0.0012 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0016 0.1213 0.1851
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.01 0.01
Brugia malayi steroid hormone receptor 0.0012 0.01 0.01
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0012 0.01 0.0153
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 1 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.01 0.0153
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.1761 0.2687
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0012 0 0.5
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.01 0.01
Echinococcus granulosus lamin dm0 0.0033 0.6552 0.6552
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Chlamydia trachomatis DNA ligase 0.0012 0 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0012 0.01 0.01
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.1024 0.1563
Entamoeba histolytica hypothetical protein 0.0043 1 1
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0012 0.01 0.01
Treponema pallidum DNA ligase (lig) 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.01 0.0153
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.01 0.0153
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.1213 0.1213
Toxoplasma gondii ATPase, AAA family protein 0.0012 0 0.5
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0012 0.01 0.01
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.01 0.01
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0012 0.01 0.01
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0012 0.01 0.0153
Loa Loa (eye worm) intermediate filament protein 0.0033 0.6552 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0012 0.01 0.01
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0012 0.01 0.01
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.01 0.01
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0012 0.01 0.01
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.01 0.01
Schistosoma mansoni steroid hormone receptor ad4bp 0.0012 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0012 0.01 0.0153
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0012 0.01 0.01
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0012 0.01 0.0153
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.0012 0 0.5
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0012 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.01 0.0153
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0012 0.01 0.01
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0012 0.01 0.0153
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0012 0.01 0.01
Echinococcus multilocularis musashi 0.0033 0.6552 0.6552
Onchocerca volvulus Protein ultraspiracle homolog 0.0012 0.01 0.0153
Giardia lamblia Replication factor C, subunit 1 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.6552 0.6552
Trypanosoma cruzi hypothetical protein, conserved 0.0012 0 0.5
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.1761 0.1761
Entamoeba histolytica hypothetical protein 0.0043 1 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0012 0.01 0.01
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0012 0.01 0.01
Brugia malayi nuclear receptor NHR-88 0.0012 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0015 0.1024 0.1563
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0012 0.01 0.01
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0012 0.01 0.01
Schistosoma mansoni coup transcription factor 0.0012 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0012 0.01 0.0153
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0012 0.01 0.01
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Brugia malayi ecdysteroid receptor 0.0012 0.01 0.01
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0012 0.01 0.01
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0012 0.01 0.01
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0012 0 0.5
Brugia malayi photoreceptor-specific nuclear receptor 0.0012 0.01 0.01
Brugia malayi nuclear hormone receptor 0.0012 0.01 0.01
Trichomonas vaginalis conserved hypothetical protein 0.0012 0 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0043 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.6552 1
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0012 0.01 0.01
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.1213 0.1213

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.0032 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.5481 um PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.1735 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) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 37.933 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) 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
Potency (functional) 112.2018 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum 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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