Detailed information for compound 1414490

Basic information

Technical information
  • TDR Targets ID: 1414490
  • Name: N-benzyl-2-methyl-3-oxo-3-phenylpropanamide
  • MW: 267.322 | Formula: C17H17NO2
  • H donors: 1 H acceptors: 2 LogP: 3.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H](C(=O)c1ccccc1)C)NCc1ccccc1
  • InChi: 1S/C17H17NO2/c1-13(16(19)15-10-6-3-7-11-15)17(20)18-12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,18,20)/t13-/m0/s1
  • InChiKey: GGIGDISRZFQVLL-ZDUSSCGKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ZINC00387729
  • AR-360/11522701

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
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
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
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
Onchocerca volvulus Putative eukaryotic translation initiation factor 4e 0.0076 0.1134 0.8156
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0076 0.1134 0.1134
Plasmodium falciparum eukaryotic translation initiation factor 4E, putative 0.0076 0.1134 0.8156
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0021 0.0261 0.0249
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.064 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.051 0.0499
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.064 1 1
Toxoplasma gondii hypoxanthine-xanthine-guanine phosphoribosyl transferase HXGPRT 0.0089 0.1331 0.1099
Echinococcus granulosus adenine phosphoribosyltransferase 0.0021 0.0261 0.0193
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0076 0.1134 0.1134
Wolbachia endosymbiont of Brugia malayi amidophosphoribosyltransferase 0.0021 0.0261 0.5
Leishmania major xanthine phosphoribosyltransferase 0.0089 0.1331 0.1099
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.064 1 1
Toxoplasma gondii hypothetical protein 0.0076 0.1134 0.0896
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0057 0.0057
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.064 1 1
Brugia malayi Phosphoribosyl transferase domain containing protein 0.0089 0.1331 0.1243
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0057 0.0057
Giardia lamblia Hypothetical protein 0.0076 0.1134 0.8156
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0057 0.0057
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0057
Entamoeba histolytica eukaryotic translation initiation factor 4E, putative 0.064 1 1
Leishmania major eukaryotic translation initiation factor, putative 0.0076 0.1134 0.0896
Echinococcus multilocularis adenine phosphoribosyltransferase 0.0021 0.0261 0.0193
Mycobacterium leprae Probable hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (IMP pho 0.0068 0.1004 1
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0021 0.0261 0.0249
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0076 0.1134 0.0896
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0057 0.0057
Loa Loa (eye worm) orotate phosphoribosyltransferase 0.0021 0.0261 0.016
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0057
Trypanosoma brucei Eukaryotic translation initiation factor 4E-1 0.064 1 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0076 0.1134 0.1134
Plasmodium vivax hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.1331 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0076 0.1134 0.1134
Treponema pallidum adenine phosphoribosyltransferase 0.0021 0.0261 0.5
Loa Loa (eye worm) eukaryotic translation initiation factor 4E type 3 0.0076 0.1134 0.1042
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.064 1 1
Brugia malayi CXXC zinc finger family protein 0.0035 0.0479 0.0383
Leishmania major eukaryotic translation initiation factor-like protein 0.064 1 1
Giardia lamblia hypothetical protein 0.0076 0.1134 0.8156
Loa Loa (eye worm) adenine phosphoribosyltransferase 0.0021 0.0261 0.016
Plasmodium falciparum eukaryotic translation initiation factor 4E 0.0076 0.1134 0.8156
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0057
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0076 0.1134 0.1134
Schistosoma mansoni uracil phosphoribosyltransferase 0.0021 0.0261 0.0249
Wolbachia endosymbiont of Brugia malayi orotate phosphoribosyltransferase 0.0021 0.0261 0.5
Trichomonas vaginalis hypothetical protein 0.0076 0.1134 0.1134
Schistosoma mansoni orotidine 5'-phosphate decarboxylase 0.0021 0.0261 0.0249
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0102 0.0033
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0057
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0057 0.0057
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0076 0.1134 0.1134
Schistosoma mansoni Adenine phosphoribosyltransferase 0.0021 0.0261 0.0249
Brugia malayi orotate phosphoribosyltransferase family protein 0.0021 0.0261 0.0162
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0057
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0057
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0076 0.1134 0.1134
Onchocerca volvulus 0.0089 0.1331 1
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0076 0.1134 0.1134
Schistosoma mansoni cpg binding protein 0.0037 0.051 0.0499
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.1331 0.1099
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0076 0.1134 0.0896
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-4 0.0076 0.1134 0.0896
Trypanosoma cruzi Eukaryotic translation initiation factor 4E type 5, putative 0.0076 0.1134 0.0896
Giardia lamblia Translation elongation factor 0.0076 0.1134 0.8156
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0057 0.0057
Schistosoma mansoni eukaryotic translation initiation factor 4e 0.064 1 1
Leishmania major eukaryotic translation initiation factor 4e, putative 0.0076 0.1134 0.0896
Brugia malayi Adenine phosphoribosyltransferase 0.0021 0.0261 0.0162
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0089 0.1331 0.1099
Giardia lamblia Guanine phosphoribosyltransferase 0.0089 0.1331 1
Treponema pallidum hypothetical protein 0.0021 0.0261 0.5
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0089 0.1331 0.1271
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.064 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0967 0.0725
Mycobacterium ulcerans hypoxanthine-guanine phosphoribosyltransferase Hpt 0.0089 0.1331 1
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.1331 0.1099
Trypanosoma brucei Eukaryotic translation initiation factor 4E type 5 0.0076 0.1134 0.0896
Trichomonas vaginalis helicase, putative 0.0008 0.0057 0.0057
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0057 0.0057
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.1331 0.1099
Onchocerca volvulus 0.0035 0.0479 0.2039
Trypanosoma brucei Eukaryotic translation initiation factor 4E-4 0.0076 0.1134 0.0896
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0076 0.1134 0.0896
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0076 0.1134 0.1134
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.1134 0.1134
Trypanosoma brucei hypoxanthine-guanine phosphoribosyltransferase 0.0089 0.1331 0.1099
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0089 0.1331 0.1321
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0057
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0057
Trypanosoma brucei Eukaryotic translation initiation factor 4E-3 0.0076 0.1134 0.0896
Plasmodium falciparum hypoxanthine-guanine phosphoribosyltransferase 0.0089 0.1331 1
Leishmania major eukaryotic translation initiation factor-like 0.064 1 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.1331 0.1099
Trichomonas vaginalis eukaryotic translation initiation factor 4E type, putative 0.0076 0.1134 0.1134
Echinococcus granulosus eukaryotic translation initiation factor 4E 0.064 1 1
Trypanosoma cruzi hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.1331 0.1099
Echinococcus granulosus uridine 5' monophosphate synthase 0.0021 0.0261 0.0193
Echinococcus multilocularis uridine 5' monophosphate synthase 0.0021 0.0261 0.0193
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.1134 0.1134
Echinococcus granulosus cpg binding protein 0.0037 0.051 0.0444
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0057 0.0057
Treponema pallidum phosphoribosylpyrophosphate synthetase 0.0021 0.0261 0.5
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0076 0.1134 0.1134
Leishmania major hypoxanthine-guanine phosphoribosyltransferase 0.0089 0.1331 0.1099
Leishmania major eukaryotic translation initiation factor eIF-4E, putative 0.064 1 1
Leishmania major hypothetical protein, conserved 0.0076 0.1134 0.0896
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0021 0.0261 0.0249
Echinococcus multilocularis cpg binding protein 0.0037 0.051 0.0444
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.0076 0.1134 0.0896
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0089 0.1331 0.1271
Trichomonas vaginalis Ribose-phosphate pyrophosphokinase, putative 0.0021 0.0261 0.0261
Brugia malayi Eukaryotic translation initiation factor 4E type 3, putative 0.0076 0.1134 0.1044
Trichomonas vaginalis hypoxanthine-guanine phosphoribosyltransferase, putative 0.0089 0.1331 0.1331
Mycobacterium tuberculosis Hypoxanthine-guanine phosphoribosyltransferase Hpt (HGPRT) (HGPRTase) (hypoxanthine phosphoribosyltransferase) (imp pyrophosphor 0.0068 0.1004 1
Trypanosoma brucei Eukaryotic translation initiation factor 4E-2 0.0076 0.1134 0.0896
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-1 0.064 1 1
Loa Loa (eye worm) eukaryotic translation initiation factor 4E-1 0.0076 0.1134 0.1042
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0057 0.0057
Echinococcus granulosus eukaryotic translation initiation factor 4E type 0.0076 0.1134 0.1072
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.1134 0.1134
Trypanosoma cruzi eukaryotic translation initiation factor 4E (eIF4E) interacting protein, putative 0.0076 0.1134 0.0896
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0076 0.1134 0.1134
Toxoplasma gondii eukaryotic initiation factor-4E, putative 0.064 1 1
Leishmania major hypothetical protein, conserved 0.0076 0.1134 0.0896
Schistosoma mansoni cpg binding protein 0.0035 0.0479 0.0468
Trichomonas vaginalis eukaryotic translation initiation factor 4E, putative 0.0076 0.1134 0.1134
Trichomonas vaginalis ribose-phosphate pyrophosphokinase, putative 0.0021 0.0261 0.0261
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0479 0.0381
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.0069 0.0057
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1091 0.108
Echinococcus multilocularis hypoxanthine guanine phosphoribosyltransferase 0.0089 0.1331 0.1271
Brugia malayi eukaryotic translation initiation factor 4E-1 0.0076 0.1134 0.1044
Trypanosoma cruzi Eukaryotic translation initiation factor 4E-3 0.0076 0.1134 0.0896
Schistosoma mansoni hypoxanthine-guanine phosphoribosyltransferase 0.0089 0.1331 0.1321
Echinococcus granulosus hypoxanthine guanine phosphoribosyltransferase 0.0089 0.1331 0.1271
Giardia lamblia Hypothetical protein 0.0076 0.1134 0.8156
Echinococcus multilocularis eukaryotic translation initiation factor 4E 0.064 1 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0102 0.0033
Loa Loa (eye worm) translation initiation factor 4E 0.064 1 1
Plasmodium vivax translation initiation factor 4E, putative 0.0076 0.1134 0.8156
Plasmodium vivax hypothetical protein, conserved 0.0076 0.1134 0.8156

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.8584 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) = 15.8489 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

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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