Detailed information for compound 1306981

Basic information

Technical information
  • TDR Targets ID: 1306981
  • Name: 3-[[2-(2-acetamidophenyl)-2-oxoacetyl]amino]- N-[(4-methylphenyl)methyl]benzamide
  • MW: 429.468 | Formula: C25H23N3O4
  • H donors: 3 H acceptors: 4 LogP: 3.5 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccccc1C(=O)C(=O)Nc1cccc(c1)C(=O)NCc1ccc(cc1)C
  • InChi: 1S/C25H23N3O4/c1-16-10-12-18(13-11-16)15-26-24(31)19-6-5-7-20(14-19)28-25(32)23(30)21-8-3-4-9-22(21)27-17(2)29/h3-14H,15H2,1-2H3,(H,26,31)(H,27,29)(H,28,32)
  • InChiKey: DPHHYENCLKKWQW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 3-[[2-(2-acetamidophenyl)-2-oxo-acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
  • 3-[[2-(2-acetamidophenyl)-1,2-dioxoethyl]amino]-N-[(4-methylphenyl)methyl]benzamide
  • 3-[[2-(2-acetamidophenyl)-2-keto-acetyl]amino]-N-(4-methylbenzyl)benzamide
  • 3-[[2-(2-acetamidophenyl)-2-oxo-ethanoyl]amino]-N-[(4-methylphenyl)methyl]benzamide
  • 3-{[[2-(acetylamino)phenyl](oxo)acetyl]amino}-N-(4-methylbenzyl)benzamide
  • MLS000584015
  • SMR000207001

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus intermediate filament 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
Brugia malayi 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
Loa Loa (eye worm) hypothetical 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 cytoplasmic intermediate filament protein 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 lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing 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
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 mansoni lamin 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
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
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
Loa Loa (eye worm) intermediate filament tail domain-containing protein 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 lamin Get druggable targets OG5_128723 All targets in OG5_128723
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
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 granulosus acetylcholinesterase 0.0511 1 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0294 0.0294
Echinococcus granulosus BC026374 protein S09 family 0.0086 0.1396 0.1124
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0511 1 1
Loa Loa (eye worm) carboxylesterase 0.0086 0.1396 0.1396
Echinococcus multilocularis acetylcholinesterase 0.0511 1 1
Loa Loa (eye worm) carboxylesterase 0.0511 1 1
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0086 0.1396 0.1124
Brugia malayi intermediate filament protein 0.0033 0.0306 0.0306
Schistosoma mansoni neuroligin 3 (S09 family) 0.0086 0.1396 0.1124
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0086 0.1396 0.1124
Onchocerca volvulus 0.0086 0.1396 1
Echinococcus multilocularis neuroligin 0.0086 0.1396 0.1124
Loa Loa (eye worm) intermediate filament protein 0.0033 0.0306 0.0306
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0086 0.1396 0.5
Echinococcus granulosus carboxylesterase 5A 0.0511 1 1
Onchocerca volvulus 0.0086 0.1396 1
Loa Loa (eye worm) hypothetical protein 0.0511 1 1
Echinococcus multilocularis BC026374 protein (S09 family) 0.0086 0.1396 0.1124
Echinococcus multilocularis para nitrobenzyl esterase 0.0086 0.1396 0.1124
Schistosoma mansoni acetylcholinesterase 0.0086 0.1396 0.1124
Loa Loa (eye worm) hypothetical protein 0.0086 0.1396 0.1396
Schistosoma mansoni BC026374 protein (S09 family) 0.0086 0.1396 0.1124
Loa Loa (eye worm) acetylcholinesterase 1 0.0511 1 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.1396 0.1396
Loa Loa (eye worm) hypothetical protein 0.0086 0.1396 0.1396
Loa Loa (eye worm) hypothetical protein 0.0086 0.1396 0.1396
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0086 0.1396 0.1124
Trichomonas vaginalis spcc417.12 protein, putative 0.0086 0.1396 0.5
Mycobacterium ulcerans carboxylesterase, LipT 0.0086 0.1396 0.5
Echinococcus granulosus para nitrobenzyl esterase 0.0086 0.1396 0.1124
Loa Loa (eye worm) hypothetical protein 0.0511 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0086 0.1396 0.5
Schistosoma mansoni gliotactin 0.0086 0.1396 0.1124
Loa Loa (eye worm) hypothetical protein 0.0086 0.1396 0.1396
Echinococcus multilocularis carboxylesterase 5A 0.0511 1 1
Brugia malayi Carboxylesterase family protein 0.0086 0.1396 0.1396
Brugia malayi Carboxylesterase family protein 0.0086 0.1396 0.1396
Loa Loa (eye worm) hypothetical protein 0.0086 0.1396 0.1396
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0086 0.1396 0.1124
Onchocerca volvulus 0.0086 0.1396 1
Mycobacterium tuberculosis Carboxylesterase LipT 0.0086 0.1396 0.5
Brugia malayi Carboxylesterase family protein 0.0511 1 1
Brugia malayi hypothetical protein 0.0086 0.1396 0.1396
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.0306 0.0306
Onchocerca volvulus 0.0086 0.1396 1
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.0306 0.0306
Echinococcus granulosus acetylcholinesterase 0.0511 1 1
Echinococcus multilocularis acetylcholinesterase 0.0511 1 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0306 0.0306
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0086 0.1396 0.5
Echinococcus granulosus neuroligin 0.0086 0.1396 0.1124
Onchocerca volvulus 0.0086 0.1396 1
Brugia malayi Carboxylesterase family protein 0.0086 0.1396 0.1396
Brugia malayi Carboxylesterase family protein 0.0086 0.1396 0.1396
Loa Loa (eye worm) carboxylesterase 0.0086 0.1396 0.1396
Loa Loa (eye worm) hypothetical protein 0.0086 0.1396 0.1396
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0086 0.1396 0.1124

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3981 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (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) 20.5962 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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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