Detailed information for compound 1380926

Basic information

Technical information
  • TDR Targets ID: 1380926
  • Name: N-(4-acetamidophenyl)-2,2-di(phenyl)acetamide
  • MW: 344.406 | Formula: C22H20N2O2
  • H donors: 2 H acceptors: 2 LogP: 3.57 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1ccc(cc1)NC(=O)C(c1ccccc1)c1ccccc1
  • InChi: 1S/C22H20N2O2/c1-16(25)23-19-12-14-20(15-13-19)24-22(26)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15,21H,1H3,(H,23,25)(H,24,26)
  • InChiKey: JPRDCYWQVXZQSV-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(4-acetamidophenyl)-2,2-di(phenyl)ethanamide
  • MLS001183390
  • SMR000502532
  • STK179365
  • ZINC00493255
  • Oprea1_261240

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Schistosoma mansoni hypothetical protein 0.0189 0.2499 0.8089
Loa Loa (eye worm) hypothetical protein 0.0146 0.1767 0.1767
Echinococcus multilocularis transfer RNA-Lys 0.005 0.0142 0.0358
Echinococcus multilocularis geminin 0.0189 0.2499 0.6302
Schistosoma mansoni jun-related protein 0.0224 0.3089 1
Brugia malayi bHLH-PAS transcription factor 0.005 0.0142 0.0142
Schistosoma mansoni hypothetical protein 0.0189 0.2499 0.8089
Brugia malayi hypothetical protein 0.0216 0.2961 0.2961
Mycobacterium ulcerans putative regulatory protein 0.005 0.0142 0.5
Echinococcus granulosus Basic leucine zipper bZIP transcription factor 0.0275 0.3965 1
Echinococcus granulosus aryl hydrocarbon receptor 0.0146 0.1777 0.4482
Schistosoma mansoni hypothetical protein 0.0224 0.3089 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription factor 0.0275 0.3965 1
Echinococcus multilocularis jun protein 0.0275 0.3965 1
Schistosoma mansoni single-minded 0.0068 0.0441 0.1429
Echinococcus granulosus jun protein 0.0275 0.3965 1
Echinococcus granulosus single minded 2 0.005 0.0142 0.0358
Loa Loa (eye worm) hypothetical protein 0.0129 0.1478 0.1478
Loa Loa (eye worm) hypothetical protein 0.0128 0.1468 0.1468
Loa Loa (eye worm) hypothetical protein 0.063 1 1
Schistosoma mansoni aryl hydrocarbon receptor 0.0197 0.2629 0.8511
Onchocerca volvulus 0.0051 0.0152 0.0513
Echinococcus granulosus geminin 0.0189 0.2499 0.6302
Onchocerca volvulus 0.0216 0.2961 1
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0128 0.1468 0.1468
Onchocerca volvulus 0.0146 0.1767 0.5968
Brugia malayi bZIP transcription factor family protein 0.0275 0.3965 0.3965
Echinococcus multilocularis aryl hydrocarbon receptor 0.0146 0.1777 0.4482
Loa Loa (eye worm) hypothetical protein 0.0268 0.3837 0.3837
Brugia malayi PAS domain containing protein 0.0068 0.0441 0.0441

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143] ChEMBL. No reference
Potency (functional) 32.6427 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) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (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.
 
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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