Detailed information for compound 807834

Basic information

Technical information
  • TDR Targets ID: 807834
  • Name: N-(1-morpholin-4-yl-2-oxo-2-phenylethyl)benza mide
  • MW: 324.374 | Formula: C19H20N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.41 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1)NC(C(=O)c1ccccc1)N1CCOCC1
  • InChi: 1S/C19H20N2O3/c22-17(15-7-3-1-4-8-15)18(21-11-13-24-14-12-21)20-19(23)16-9-5-2-6-10-16/h1-10,18H,11-14H2,(H,20,23)
  • InChiKey: JHRXPPYVCZSHFQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(1-morpholino-2-oxo-2-phenyl-ethyl)benzamide
  • N-(1-morpholino-2-oxo-2-phenylethyl)benzamide
  • N-(2-keto-1-morpholino-2-phenyl-ethyl)benzamide
  • N-(1-morpholin-4-yl-2-oxo-2-phenyl-ethyl)benzamide
  • BAS 00084288
  • BIM-0010974.P001
  • CDS1_003660
  • DivK1c_004700
  • CBMicro_011084
  • MLS000105103
  • SMR000055032
  • N-(1-Morpholin-4-yl-2-oxo-2-phenyl-ethyl)-benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens vitamin D (1,25- dihydroxyvitamin D3) receptor 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 japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative 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
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
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi steroid hormone receptor vitamin D (1,25- dihydroxyvitamin D3) receptor 427 aa 416 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Nuclear hormone receptor HR96 0.0012 0.1052 0.1034
Schistosoma mansoni zinc finger protein 0.0012 0.1052 0.0954
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Brugia malayi hypothetical protein 0.0013 0.1252 0.0956
Brugia malayi steroid hormone receptor 0.0024 0.2912 0.5736
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0024 0.2912 0.2834
Onchocerca volvulus 0.0024 0.2912 0.5566
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Brugia malayi Nuclear hormone receptor-like 1 0.0024 0.2912 0.5736
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0012 0.1052 0.0954
Brugia malayi nuclear hormone receptor family member nhr-6 0.0012 0.1052 0.0383
Loa Loa (eye worm) hypothetical protein 0.0013 0.1252 0.0904
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Loa Loa (eye worm) hypothetical protein 0.0024 0.2912 0.5711
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0024 0.2912 0.2834
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Schistosoma mansoni nuclear hormone receptor 0.0012 0.1052 0.0954
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0024 0.2912 0.2834
Brugia malayi nuclear hormone receptor 0.0012 0.1052 0.0383
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0024 0.2912 0.5632
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Schistosoma mansoni retinoic acid receptor RXR 0.0024 0.2912 0.2834
Schistosoma mansoni coup transcription factor 0.0024 0.2912 0.2834
Schistosoma mansoni nuclear receptor 0.0012 0.1052 0.0954
Schistosoma mansoni nuclear hormone receptor 0.0012 0.1052 0.0954
Loa Loa (eye worm) hypothetical protein 0.0024 0.2912 0.5711
Schistosoma mansoni nuclear receptor nhr-48 0.0012 0.1052 0.0954
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0024 0.2912 0.5711
Echinococcus granulosus FTZ F1 alpha 0.0024 0.2912 0.5632
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0024 0.2912 0.2834
Brugia malayi CXXC zinc finger family protein 0.0035 0.4393 1
Brugia malayi hypothetical protein 0.0012 0.1052 0.0383
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Brugia malayi tailless protein 0.0012 0.1052 0.0383
Loa Loa (eye worm) hypothetical protein 0.0013 0.1252 0.0904
Loa Loa (eye worm) hypothetical protein 0.0024 0.2912 0.5711
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0024 0.2912 0.5632
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 1
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0024 0.2912 0.5632
Brugia malayi nuclear receptor RXR 0.0012 0.1052 0.0383
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0024 0.2912 0.2834
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.2912 0.5632
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Brugia malayi ecdysone receptor 0.0012 0.1052 0.0383
Loa Loa (eye worm) steroid hormone receptor 0.0024 0.2912 0.5711
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0939 0.0754
Echinococcus multilocularis ecdysone induced protein 78C 0.0024 0.2912 0.5632
Schistosoma mansoni cpg binding protein 0.0035 0.4393 0.4331
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0013 0.1252 0.1155
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.4393 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0024 0.2912 0.5736
Onchocerca volvulus 0.0035 0.4393 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0939 0.0754
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0024 0.2912 0.5632
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Brugia malayi conserved hypotetical protein 0.0012 0.1052 0.0383
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.2912 0.5736
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0024 0.2912 0.5632
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.1252 0.0956
Echinococcus granulosus cpg binding protein 0.0037 0.4678 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.8867 0.5
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Loa Loa (eye worm) hypothetical protein 0.0013 0.1252 0.0904
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.2912 0.5736
Loa Loa (eye worm) hypothetical protein 0.0013 0.1252 0.0904
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0024 0.2912 0.5632
Schistosoma mansoni steroid hormone receptor ad4bp 0.0024 0.2912 0.2834
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0024 0.2912 0.2834
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0024 0.2912 0.5736
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0024 0.2912 0.5736
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0012 0.1052 0.1034
Brugia malayi Steroid receptor seven-up type 2 0.0024 0.2912 0.5736
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0013 0.1252 0.1526
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0634 0.0531
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0024 0.2912 0.5711
Schistosoma mansoni nuclear receptor 0.0012 0.1052 0.0954
Brugia malayi nuclear receptor NHR-88 0.0012 0.1052 0.0383
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Echinococcus granulosus thyroid hormone receptor alpha 0.0012 0.1052 0.1034
Loa Loa (eye worm) hypothetical protein 0.0013 0.1252 0.0904
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0024 0.2912 0.5736
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0024 0.2912 0.5632
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0024 0.2912 0.5632
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Echinococcus granulosus Nuclear hormone receptor HR96 0.0012 0.1052 0.1034
Loa Loa (eye worm) nuclear receptor NHR-67 0.0012 0.1052 0.0328
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0024 0.2912 0.5632
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0024 0.2912 0.5736
Trichomonas vaginalis helicase, putative 0.0008 0.0525 1
Echinococcus multilocularis cpg binding protein 0.0037 0.4678 1
Echinococcus multilocularis FTZ F1 alpha 0.0024 0.2912 0.5632
Onchocerca volvulus Protein ultraspiracle homolog 0.0024 0.2912 0.5566
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0012 0.1052 0.1034
Loa Loa (eye worm) DR-78 0.0012 0.1052 0.0328
Echinococcus granulosus nuclear receptor nhr 48 0.0012 0.1052 0.1034
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0525 1
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Brugia malayi hypothetical protein 0.0013 0.1252 0.0956
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.2912 0.5711
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0013 0.1252 0.1155
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0013 0.1252 0.0904
Brugia malayi Nuclear hormone receptor-like 1 0.0013 0.1252 0.0956
Echinococcus granulosus ecdysone induced protein 78C 0.0024 0.2912 0.5632
Onchocerca volvulus Bile acid receptor homolog 0.0024 0.2912 0.5566
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.2912 0.5736
Brugia malayi nuclear hormone receptor 0.0024 0.2912 0.5736
Brugia malayi Nuclear hormone receptor E75 0.0012 0.1052 0.0383
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0024 0.2912 0.5632
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0024 0.2912 0.5711
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0024 0.2912 0.5736
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0012 0.1052 0.1034
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0525 1
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0012 0.1052 0.0954
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.2912 0.5632
Loa Loa (eye worm) hypothetical protein 0.0024 0.2912 0.5711
Brugia malayi nuclear receptor RXR 0.0013 0.1252 0.0956
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0024 0.2912 0.5711
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0024 0.2912 0.5736
Loa Loa (eye worm) hypothetical protein 0.0024 0.2912 0.5711
Brugia malayi nuclear receptor NHR-88 0.0024 0.2912 0.5736
Loa Loa (eye worm) hypothetical protein 0.0024 0.2912 0.5711
Schistosoma mansoni thyroid hormone receptor 0.0024 0.2912 0.2834
Schistosoma mansoni thyroid hormone receptor 0.0024 0.2912 0.2834
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0013 0.1252 0.1526
Brugia malayi orphan nuclear receptor NR2E1 0.0012 0.1052 0.0383
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0024 0.2912 0.5736
Loa Loa (eye worm) nuclear hormone receptor 0.0012 0.1052 0.0328
Brugia malayi ecdysteroid receptor 0.0024 0.2912 0.5736
Brugia malayi Nuclear hormone receptor E75 0.0012 0.1052 0.0383
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0024 0.2912 0.5566
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0024 0.2912 0.5711
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.2912 0.5711
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0012 0.1052 0.1034
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0012 0.1052 0.0328
Brugia malayi nuclear hormone receptor family member odr-7 0.0012 0.1052 0.0383
Brugia malayi hypothetical protein 0.0012 0.1052 0.0383
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0012 0.1052 0.1034
Schistosoma mansoni nuclear hormone receptor 0.0024 0.2912 0.2834
Schistosoma mansoni RAR-like nuclear receptor 0.0024 0.2912 0.2834
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0012 0.1052 0.1034
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0024 0.2912 0.5736
Loa Loa (eye worm) hypothetical protein 0.0012 0.1052 0.0328
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0024 0.2912 0.5736
Echinococcus multilocularis thyroid hormone receptor alpha 0.0024 0.2912 0.5632
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0024 0.2912 0.5632
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0012 0.1052 0.1034
Brugia malayi photoreceptor-specific nuclear receptor 0.0024 0.2912 0.5736
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0525 1
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0012 0.1052 0.0383
Echinococcus multilocularis nuclear receptor nhr 48 0.0012 0.1052 0.1034
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0024 0.2912 0.5711
Brugia malayi nuclear receptor NHR-67 0.0012 0.1052 0.0383
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0024 0.2912 0.5711
Schistosoma mansoni cpg binding protein 0.0037 0.4678 0.4619

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 8.9125 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) = 10 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.4179 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) 18.526 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) 25.929 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 (binding) = 31.6228 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) 32.6427 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) 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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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